(Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide

C17H23N3O3 — CID 94140780

IUPAC(Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCN(C)C1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C17H23N3O3/c1-19(2)17(11-5-6-12-17)13-18-16(21)10-9-14-7-3-4-8-15(14)20(22)23/h3-4,7-10H,5-6,11-13H2,1-2H3,(H,18,21)/b10-9-
InChIKeyJIXYLTKPLYHYKD-KTKRTIGZSA-N
MW317.39 g/mol
LogP2.60
Rot. Bonds6

About (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide

(Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 94140780) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID94140780
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCN(C)C1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C17H23N3O3/c1-19(2)17(11-5-6-12-17)13-18-16(21)10-9-14-7-3-4-8-15(14)20(22)23/h3-4,7-10H,5-6,11-13H2,1-2H3,(H,18,21)/b10-9-
InChIKeyJIXYLTKPLYHYKD-KTKRTIGZSA-N
XLogP2.60
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-[(1-hydroxycyclobutyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 115643301
(E)-N-(2-methylprop-2-enyl)-3-(2-nitrophenyl)prop-2-enamide
CID 114618670
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477
(E)-N-[(2-methylphenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 9104688
(E)-3-(2-nitrophenyl)-N-octylprop-2-enamide
CID 70513240
(E)-3-(2-nitrophenyl)-N-pent-4-ynylprop-2-enamide
CID 103709018
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 72685712
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(2-nitrophenyl)prop-2-enamide
CID 72684591
3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide
CID 75127327
(E)-N-(5-hydroxypentyl)-3-(2-nitrophenyl)prop-2-enamide
CID 107319129
ethyl 3-[3-(2-nitrophenyl)prop-2-enoylamino]propanoate
CID 76930238
(E)-N-[(3-hydroxycyclohexyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 111460122

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide (CID 94140780) is (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide is CN(C)C1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCCC1.
What is the InChIKey of (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is JIXYLTKPLYHYKD-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19(2)17(11-5-6-12-17)13-18-16(21)10-9-14-7-3-4-8-15(14)20(22)23/h3-4,7-10H,5-6,11-13H2,1-2H3,(H,18,21)/b10-9-.
What are the key properties of (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide?
(Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 94140780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).