4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide

C12H21N3O — CID 79211032

IUPAC4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCN1CCC(CNC(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C12H21N3O/c1-15-5-4-9(8-15)7-14-12(16)10-2-3-11(13)6-10/h2-3,9-11H,4-8,13H2,1H3,(H,14,16)
InChIKeyLPJVUDUVMAXMJB-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.04
Rot. Bonds3

About 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79211032) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide
PubChem CID79211032
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCN1CCC(CNC(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C12H21N3O/c1-15-5-4-9(8-15)7-14-12(16)10-2-3-11(13)6-10/h2-3,9-11H,4-8,13H2,1H3,(H,14,16)
InChIKeyLPJVUDUVMAXMJB-UHFFFAOYSA-N
XLogP-0.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 114995517
4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207695
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
3-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 60857394
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 65465734
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63006550
4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 107389499
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide (CID 79211032) is 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide is CN1CCC(CNC(=O)C2C=CC(N)C2)C1.
What is the InChIKey of 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is LPJVUDUVMAXMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-5-4-9(8-15)7-14-12(16)10-2-3-11(13)6-10/h2-3,9-11H,4-8,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).