N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide

C14H17N3O3 — CID 92534356

IUPACN-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
SMILESCCCCC(=O)N/N=C\C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c1-2-3-10-14(18)16-15-11-6-8-12-7-4-5-9-13(12)17(19)20/h4-9,11H,2-3,10H2,1H3,(H,16,18)/b8-6-,15-11-
InChIKeyLROABCXZTALKMX-CMAKCPRESA-N
MW275.31 g/mol
LogP2.90
Rot. Bonds7

About N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide

N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide (PubChem CID 92534356) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide.

Molecular Properties

Compound NameN-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
PubChem CID92534356
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
SMILESCCCCC(=O)N/N=C\C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c1-2-3-10-14(18)16-15-11-6-8-12-7-4-5-9-13(12)17(19)20/h4-9,11H,2-3,10H2,1H3,(H,16,18)/b8-6-,15-11-
InChIKeyLROABCXZTALKMX-CMAKCPRESA-N
XLogP2.90
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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

N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide
CID 3794109
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 9467684
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 11958740
2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[3-(2-nitrophenyl)prop-2-enylideneamino]acetamide
CID 5050865
1-(2,3-dimethylphenyl)-3-[3-(2-nitrophenyl)prop-2-enylideneamino]thiourea
CID 6797295
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 12005036
3-ethyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9462953
1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea
CID 6904289
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide?
The IUPAC name of N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide (CID 92534356) is N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide.
What is the SMILES notation for N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide?
The canonical SMILES for N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide is CCCCC(=O)N/N=C\C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide?
The InChIKey is LROABCXZTALKMX-CMAKCPRESA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-3-10-14(18)16-15-11-6-8-12-7-4-5-9-13(12)17(19)20/h4-9,11H,2-3,10H2,1H3,(H,16,18)/b8-6-,15-11-.
What are the key properties of N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide?
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide has a molecular weight of 275.31 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide is sourced from PubChem (CID 92534356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).