(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone

C16H23NO — CID 116608201

IUPAC(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2(CC)CCCN2)c1
InChIInChI=1S/C16H23NO/c1-3-7-13-8-5-9-14(12-13)15(18)16(4-2)10-6-11-17-16/h5,8-9,12,17H,3-4,6-7,10-11H2,1-2H3
InChIKeyAWXSBBCUPYBVDU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.35
Rot. Bonds5

About (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone

(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone (PubChem CID 116608201) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
PubChem CID116608201
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2(CC)CCCN2)c1
InChIInChI=1S/C16H23NO/c1-3-7-13-8-5-9-14(12-13)15(18)16(4-2)10-6-11-17-16/h5,8-9,12,17H,3-4,6-7,10-11H2,1-2H3
InChIKeyAWXSBBCUPYBVDU-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone 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

(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
(2-ethylpyrrolidin-2-yl)-(furan-2-yl)methanone
CID 116608283
(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
CID 116608174
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608177
(1-phenylcyclopropyl)-(3-propylphenyl)methanone
CID 116543203
(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 116543351
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
(2-methyloxolan-2-yl)-(3-propylphenyl)methanone
CID 116543391
N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 83072039

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone (CID 116608201) is (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)C2(CC)CCCN2)c1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone?
The InChIKey is AWXSBBCUPYBVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-7-13-8-5-9-14(12-13)15(18)16(4-2)10-6-11-17-16/h5,8-9,12,17H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone?
(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone is sourced from PubChem (CID 116608201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).