N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide

C11H11N3O3 — CID 5420088

IUPACN-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C11H11N3O3/c15-11(9-4-5-9)13-12-7-8-2-1-3-10(6-8)14(16)17/h1-3,6-7,9H,4-5H2,(H,13,15)/b12-7-
InChIKeyZCMWWWGPVVRAQH-GHXNOFRVSA-N
MW233.23 g/mol
LogP1.45
Rot. Bonds4

About N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide

N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 5420088) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID5420088
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C11H11N3O3/c15-11(9-4-5-9)13-12-7-8-2-1-3-10(6-8)14(16)17/h1-3,6-7,9H,4-5H2,(H,13,15)/b12-7-
InChIKeyZCMWWWGPVVRAQH-GHXNOFRVSA-N
XLogP1.45
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.45
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-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
CID 139230612
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925009
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011423
N-[(3-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2828223
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
1-(4-fluorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 5347410
[(3-nitrophenyl)methylideneamino]carbamodithioic acid
CID 1275156
2-(azepan-1-yl)-N-[(3-nitrophenyl)methylideneamino]-2-oxoacetamide
CID 2256302
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide (CID 5420088) is N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C\c1cccc([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is ZCMWWWGPVVRAQH-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-11(9-4-5-9)13-12-7-8-2-1-3-10(6-8)14(16)17/h1-3,6-7,9H,4-5H2,(H,13,15)/b12-7-.
What are the key properties of N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 233.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 5420088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).