1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide

C13H17N3O3 — CID 81485238

IUPAC1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1
InChIInChI=1S/C13H17N3O3/c14-9-13(6-1-2-7-13)12(17)15-10-4-3-5-11(8-10)16(18)19/h3-5,8H,1-2,6-7,9,14H2,(H,15,17)
InChIKeyVBCKLZNXEWDSQF-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.05
Rot. Bonds4

About 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 81485238) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID81485238
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1
InChIInChI=1S/C13H17N3O3/c14-9-13(6-1-2-7-13)12(17)15-10-4-3-5-11(8-10)16(18)19/h3-5,8H,1-2,6-7,9,14H2,(H,15,17)
InChIKeyVBCKLZNXEWDSQF-UHFFFAOYSA-N
XLogP2.05
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095390
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 107744548
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-(aminomethyl)-N-(4-methyl-3-nitrophenyl)cyclobutane-1-carboxamide
CID 115447360
1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 81486575
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
CID 115447728
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 43341699

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide (CID 81485238) is 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide is NCC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is VBCKLZNXEWDSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-9-13(6-1-2-7-13)12(17)15-10-4-3-5-11(8-10)16(18)19/h3-5,8H,1-2,6-7,9,14H2,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 81485238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).