1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride

C14H18ClN3O2 — CID 119688467

IUPAC1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C14H17N3O2.ClH/c15-14(7-8-14)13(19)16-10-3-5-11(6-4-10)17-9-1-2-12(17)18;/h3-6H,1-2,7-9,15H2,(H,16,19);1H
InChIKeyQTOPMBBQQMQNOX-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.66
Rot. Bonds3

About 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119688467) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119688467
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C14H17N3O2.ClH/c15-14(7-8-14)13(19)16-10-3-5-11(6-4-10)17-9-1-2-12(17)18;/h3-6H,1-2,7-9,15H2,(H,16,19);1H
InChIKeyQTOPMBBQQMQNOX-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721
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CID 119692813
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 16764862
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290019
1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119285129
1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 65463655
2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8513757
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81178816
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119688467) is 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is QTOPMBBQQMQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c15-14(7-8-14)13(19)16-10-3-5-11(6-4-10)17-9-1-2-12(17)18;/h3-6H,1-2,7-9,15H2,(H,16,19);1H.
What are the key properties of 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119688467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).