(Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine

C9H9N3O2 — CID 154687570

IUPAC(Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine
SMILESN/C=C\C=N\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9N3O2/c10-5-2-6-11-8-3-1-4-9(7-8)12(13)14/h1-7H,10H2/b5-2-,11-6+
InChIKeyHWNLHRYZGIKYEJ-LTGWCMJBSA-N
MW191.19 g/mol
LogP1.77
Rot. Bonds3

About (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine

(Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine (PubChem CID 154687570) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine
PubChem CID154687570
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine
SMILESN/C=C\C=N\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9N3O2/c10-5-2-6-11-8-3-1-4-9(7-8)12(13)14/h1-7H,10H2/b5-2-,11-6+
InChIKeyHWNLHRYZGIKYEJ-LTGWCMJBSA-N
XLogP1.77
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.77
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

bis(3-nitrophenyl)diazene
CID 10858607
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CID 523921
2-(3-nitrophenyl)guanidine
CID 15667866
(E)-4-(3-methyl-1,3-benzothiazol-2-ylidene)-N-(3-nitrophenyl)but-2-en-1-imine
CID 6998740
3-[(3-nitrophenyl)diazenyl]aniline
CID 54370732
zinc bis(2-[(3-nitrophenyl)iminomethyl]phenolate)
CID 139056549
1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine
CID 794832
1-azido-3-nitrobenzene;hydrofluoride
CID 161250805
N'-(2,4-dinitrophenyl)methanimidamide
CID 89273511
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
4-(3-nitrophenyl)imino-1-phenylbutane-1,3-dione
CID 71392557
CID 174796132
CID 174796132

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine?
The IUPAC name of (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine (CID 154687570) is (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine is N/C=C\C=N\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine?
The InChIKey is HWNLHRYZGIKYEJ-LTGWCMJBSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-5-2-6-11-8-3-1-4-9(7-8)12(13)14/h1-7H,10H2/b5-2-,11-6+.
What are the key properties of (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine?
(Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine has a molecular weight of 191.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine is sourced from PubChem (CID 154687570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).