(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride

C11H19ClN2O — CID 131110722

IUPAC(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESC[C@@H]1CNC[C@H]1C(=O)NC1CC=CC1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-8-6-12-7-10(8)11(14)13-9-4-2-3-5-9;/h2-3,8-10,12H,4-7H2,1H3,(H,13,14);1H/t8-,10-;/m1./s1
InChIKeyBTBKRVVODQFBGO-GHXDPTCOSA-N
MW230.74 g/mol
LogP1.10
Rot. Bonds2

About (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride

(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 131110722) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID131110722
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESC[C@@H]1CNC[C@H]1C(=O)NC1CC=CC1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-8-6-12-7-10(8)11(14)13-9-4-2-3-5-9;/h2-3,8-10,12H,4-7H2,1H3,(H,13,14);1H/t8-,10-;/m1./s1
InChIKeyBTBKRVVODQFBGO-GHXDPTCOSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide
CID 115976512
(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide
CID 131204171
(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 114084930
4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63715319
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
N-(1-cyclopropylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 55228814
N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 63715176
4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
CID 63714005
N-(1-ethylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 63715986
(3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130908536
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63713938

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride (CID 131110722) is (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride is C[C@@H]1CNC[C@H]1C(=O)NC1CC=CC1.Cl.
What is the InChIKey of (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BTBKRVVODQFBGO-GHXDPTCOSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c1-8-6-12-7-10(8)11(14)13-9-4-2-3-5-9;/h2-3,8-10,12H,4-7H2,1H3,(H,13,14);1H/t8-,10-;/m1./s1.
What are the key properties of (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride?
(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 131110722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).