N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline

C12H15N3O2 — CID 6373786

IUPACN-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
SMILESCC(C)=C/C(C)=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O2/c1-9(2)8-10(3)13-14-11-4-6-12(7-5-11)15(16)17/h4-8,14H,1-3H3/b13-10-
InChIKeyFHKCLKQUTGDSIY-RAXLEYEMSA-N
MW233.27 g/mol
LogP3.35
Rot. Bonds4

About N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline

N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline (PubChem CID 6373786) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
PubChem CID6373786
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
SMILESCC(C)=C/C(C)=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O2/c1-9(2)8-10(3)13-14-11-4-6-12(7-5-11)15(16)17/h4-8,14H,1-3H3/b13-10-
InChIKeyFHKCLKQUTGDSIY-RAXLEYEMSA-N
XLogP3.35
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.35
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

(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline
CID 3300042
2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
CID 71359909
N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline
CID 2831871
N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline
CID 3579160
(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
CID 141451524
5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
CID 131887668

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline?
The IUPAC name of N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline (CID 6373786) is N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline?
The canonical SMILES for N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline is CC(C)=C/C(C)=N\Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline?
The InChIKey is FHKCLKQUTGDSIY-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(2)8-10(3)13-14-11-4-6-12(7-5-11)15(16)17/h4-8,14H,1-3H3/b13-10-.
What are the key properties of N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline?
N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline has a molecular weight of 233.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline is sourced from PubChem (CID 6373786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).