[2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid

C19H28ClNO5 — CID 143479334

IUPAC[2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid
SMILESCC.CC1(C)OC[C@H](C(=O)N2CCCC2c2cccc(Cl)c2)O1.O=CO
InChIInChI=1S/C16H20ClNO3.C2H6.CH2O2/c1-16(2)20-10-14(21-16)15(19)18-8-4-7-13(18)11-5-3-6-12(17)9-11;1-2;2-1-3/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3;1-2H3;1H,(H,2,3)/t13?,14-;;/m1../s1
InChIKeyHPHASGCFSHRDSG-RNPIIYMOSA-N
MW385.89 g/mol
LogP3.88
Rot. Bonds2

About [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid

[2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid (PubChem CID 143479334) has the molecular formula C19H28ClNO5 and a molecular weight of 385.89 g/mol. Its IUPAC name is [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid.

Molecular Properties

Compound Name[2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid
PubChem CID143479334
Molecular FormulaC19H28ClNO5
Molecular Weight385.89 g/mol
Exact Mass385.17
IUPAC Name[2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid
SMILESCC.CC1(C)OC[C@H](C(=O)N2CCCC2c2cccc(Cl)c2)O1.O=CO
InChIInChI=1S/C16H20ClNO3.C2H6.CH2O2/c1-16(2)20-10-14(21-16)15(19)18-8-4-7-13(18)11-5-3-6-12(17)9-11;1-2;2-1-3/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3;1-2H3;1H,(H,2,3)/t13?,14-;;/m1../s1
InChIKeyHPHASGCFSHRDSG-RNPIIYMOSA-N
XLogP3.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[[(Z)-2-aminoethenyl]sulfanylmethyl]phenyl]methyl]formamide;[2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 143154849
[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanone
CID 160684070
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
[1-(aminomethyl)cyclopropyl]-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 115452869
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950016
2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 63131937
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611255
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 60946946
[(4R,5S)-5-[1-[3-(4-chlorophenyl)prop-2-ynylamino]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 143479130
3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 106112107

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid?
The IUPAC name of [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid (CID 143479334) is [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid.
What is the SMILES notation for [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid?
The canonical SMILES for [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid is CC.CC1(C)OC[C@H](C(=O)N2CCCC2c2cccc(Cl)c2)O1.O=CO.
What is the InChIKey of [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid?
The InChIKey is HPHASGCFSHRDSG-RNPIIYMOSA-N. The full InChI is InChI=1S/C16H20ClNO3.C2H6.CH2O2/c1-16(2)20-10-14(21-16)15(19)18-8-4-7-13(18)11-5-3-6-12(17)9-11;1-2;2-1-3/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3;1-2H3;1H,(H,2,3)/t13?,14-;;/m1../s1.
What are the key properties of [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid?
[2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid has a molecular weight of 385.89 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;ethane;formic acid is sourced from PubChem (CID 143479334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).