[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone

C15H18Cl2N2O — CID 124865626

IUPAC[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone
SMILESNC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O/c16-11-3-10(4-12(17)5-11)13-6-14(13)15(20)19-2-1-9(7-18)8-19/h3-5,9,13-14H,1-2,6-8,18H2/t9-,13+,14-/m0/s1
InChIKeyGHZCVZUODMORTH-FZZIBODNSA-N
MW313.23 g/mol
LogP2.90
Rot. Bonds3

About [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone

[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone (PubChem CID 124865626) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone
PubChem CID124865626
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone
SMILESNC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O/c16-11-3-10(4-12(17)5-11)13-6-14(13)15(20)19-2-1-9(7-18)8-19/h3-5,9,13-14H,1-2,6-8,18H2/t9-,13+,14-/m0/s1
InChIKeyGHZCVZUODMORTH-FZZIBODNSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 125134461
(3R)-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125134395
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone
CID 124778448
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(3,5-dichlorophenyl)cyclopropyl]methanone
CID 119635392
N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 119479658
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248
(3R)-1-[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-3-methylpiperidin-4-one
CID 124730027
4-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 119240168
(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125120523
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone?
The IUPAC name of [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone (CID 124865626) is [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone is NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone?
The InChIKey is GHZCVZUODMORTH-FZZIBODNSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-11-3-10(4-12(17)5-11)13-6-14(13)15(20)19-2-1-9(7-18)8-19/h3-5,9,13-14H,1-2,6-8,18H2/t9-,13+,14-/m0/s1.
What are the key properties of [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone?
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone has a molecular weight of 313.23 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 124865626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).