(E)-3-(3-nitrophenyl)prop-2-en-1-amine

C9H10N2O2 — CID 19966844

IUPAC(E)-3-(3-nitrophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O2/c10-6-2-4-8-3-1-5-9(7-8)11(12)13/h1-5,7H,6,10H2/b4-2+
InChIKeySVBBYRHKASOCNI-DUXPYHPUSA-N
MW178.19 g/mol
LogP1.57
Rot. Bonds3

About (E)-3-(3-nitrophenyl)prop-2-en-1-amine

(E)-3-(3-nitrophenyl)prop-2-en-1-amine (PubChem CID 19966844) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (E)-3-(3-nitrophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-nitrophenyl)prop-2-en-1-amine
PubChem CID19966844
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(E)-3-(3-nitrophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O2/c10-6-2-4-8-3-1-5-9(7-8)11(12)13/h1-5,7H,6,10H2/b4-2+
InChIKeySVBBYRHKASOCNI-DUXPYHPUSA-N
XLogP1.57
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
3-(3-nitrophenyl)prop-2-en-1-ol
CID 53401716
1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
CID 56955352
1-hex-1-enyl-3-nitrobenzene
CID 54569294
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
3-(3-nitrophenyl)prop-2-enamide
CID 692292
N-[3-(3-nitrophenyl)prop-2-enyl]cyclopropanamine
CID 79347711
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
2-(3-aminoprop-1-enyl)-4-nitroaniline
CID 169463865
CID 175409039
CID 175409039
N,N'-bis[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]methanediamine
CID 102327818
1-[3-[(E)-3-(3-nitrophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 6437888

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-nitrophenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-nitrophenyl)prop-2-en-1-amine (CID 19966844) is (E)-3-(3-nitrophenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-nitrophenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-nitrophenyl)prop-2-en-1-amine is NC/C=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-3-(3-nitrophenyl)prop-2-en-1-amine?
The InChIKey is SVBBYRHKASOCNI-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-6-2-4-8-3-1-5-9(7-8)11(12)13/h1-5,7H,6,10H2/b4-2+.
What are the key properties of (E)-3-(3-nitrophenyl)prop-2-en-1-amine?
(E)-3-(3-nitrophenyl)prop-2-en-1-amine has a molecular weight of 178.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-nitrophenyl)prop-2-en-1-amine is sourced from PubChem (CID 19966844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).