N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

C16H20N2O2 — CID 20642483

IUPACN-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCN(c2cccc3c2CCO3)C1)C1CC1
InChIInChI=1S/C16H20N2O2/c19-16(11-4-5-11)17-12-6-8-18(10-12)14-2-1-3-15-13(14)7-9-20-15/h1-3,11-12H,4-10H2,(H,17,19)/t12-/m0/s1
InChIKeyMYPJFFALPYPMPA-LBPRGKRZSA-N
MW272.35 g/mol
LogP1.73
Rot. Bonds3

About N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 20642483) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID20642483
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCN(c2cccc3c2CCO3)C1)C1CC1
InChIInChI=1S/C16H20N2O2/c19-16(11-4-5-11)17-12-6-8-18(10-12)14-2-1-3-15-13(14)7-9-20-15/h1-3,11-12H,4-10H2,(H,17,19)/t12-/m0/s1
InChIKeyMYPJFFALPYPMPA-LBPRGKRZSA-N
XLogP1.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 20642483) is N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(N[C@H]1CCN(c2cccc3c2CCO3)C1)C1CC1.
What is the InChIKey of N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is MYPJFFALPYPMPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(11-4-5-11)17-12-6-8-18(10-12)14-2-1-3-15-13(14)7-9-20-15/h1-3,11-12H,4-10H2,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 20642483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).