N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide

C15H19N3O3 — CID 77011092

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESNCC1(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CCCC1
InChIInChI=1S/C15H19N3O3/c16-11-15(9-1-2-10-15)17-14(19)8-5-12-3-6-13(7-4-12)18(20)21/h3-8H,1-2,9-11,16H2,(H,17,19)
InChIKeyNDPPZHPWMJCCBV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide

N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 77011092) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID77011092
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESNCC1(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CCCC1
InChIInChI=1S/C15H19N3O3/c16-11-15(9-1-2-10-15)17-14(19)8-5-12-3-6-13(7-4-12)18(20)21/h3-8H,1-2,9-11,16H2,(H,17,19)
InChIKeyNDPPZHPWMJCCBV-UHFFFAOYSA-N
XLogP2.00
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
N-(2-amino-1-cyclopropylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 77058189
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
(E)-N-(1-aminobutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 65193675
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 119567681
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
(E)-N-(methylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17187248
N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76941521
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
(E)-3-(4-nitrophenyl)prop-2-enoyl cyanide
CID 20510489
(E)-N-(2-cyclopentylsulfanylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 94101564
(2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
CID 92857298

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide (CID 77011092) is N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide is NCC1(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is NDPPZHPWMJCCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-11-15(9-1-2-10-15)17-14(19)8-5-12-3-6-13(7-4-12)18(20)21/h3-8H,1-2,9-11,16H2,(H,17,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide?
N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 289.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 77011092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).