N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide

C13H15N3O3 — CID 139230612

IUPACN-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C13H15N3O3/c17-13(11-5-1-2-6-11)15-14-9-10-4-3-7-12(8-10)16(18)19/h3-4,7-9,11H,1-2,5-6H2,(H,15,17)/b14-9+
InChIKeyDQFOZTNOWNOLQR-NTEUORMPSA-N
MW261.28 g/mol
LogP2.24
Rot. Bonds4

About N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 139230612) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID139230612
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C13H15N3O3/c17-13(11-5-1-2-6-11)15-14-9-10-4-3-7-12(8-10)16(18)19/h3-4,7-9,11H,1-2,5-6H2,(H,15,17)/b14-9+
InChIKeyDQFOZTNOWNOLQR-NTEUORMPSA-N
XLogP2.24
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.24
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-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420088
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925009
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011423
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(3-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2828223
[(3-nitrophenyl)methylideneamino]carbamodithioic acid
CID 1275156
1-[(1R,2R)-2-methylcyclohexyl]-3-[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 9122037
2-(azepan-1-yl)-N-[(3-nitrophenyl)methylideneamino]-2-oxoacetamide
CID 2256302
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
1-(4-fluorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 5347410

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide (CID 139230612) is N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide is O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCCC1.
What is the InChIKey of N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is DQFOZTNOWNOLQR-NTEUORMPSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13(11-5-1-2-6-11)15-14-9-10-4-3-7-12(8-10)16(18)19/h3-4,7-9,11H,1-2,5-6H2,(H,15,17)/b14-9+.
What are the key properties of N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 261.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 139230612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).