(Z)-3-(2-aminoanilino)pent-2-enal

C11H14N2O — CID 89064046

IUPAC(Z)-3-(2-aminoanilino)pent-2-enal
SMILESCC/C(=C/C=O)Nc1ccccc1N
InChIInChI=1S/C11H14N2O/c1-2-9(7-8-14)13-11-6-4-3-5-10(11)12/h3-8,13H,2,12H2,1H3/b9-7-
InChIKeyJLYUJOQHMSVZCH-CLFYSBASSA-N
MW190.25 g/mol
LogP2.17
Rot. Bonds4

About (Z)-3-(2-aminoanilino)pent-2-enal

(Z)-3-(2-aminoanilino)pent-2-enal (PubChem CID 89064046) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (Z)-3-(2-aminoanilino)pent-2-enal.

Molecular Properties

Compound Name(Z)-3-(2-aminoanilino)pent-2-enal
PubChem CID89064046
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(Z)-3-(2-aminoanilino)pent-2-enal
SMILESCC/C(=C/C=O)Nc1ccccc1N
InChIInChI=1S/C11H14N2O/c1-2-9(7-8-14)13-11-6-4-3-5-10(11)12/h3-8,13H,2,12H2,1H3/b9-7-
InChIKeyJLYUJOQHMSVZCH-CLFYSBASSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane
CID 144503553
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-2-methylprop-2-enamide;propane
CID 118948381
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
N-(2-aminophenyl)but-2-ynamide
CID 90330903
1-(2-aminoanilino)butan-2-one
CID 58535074
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-aminoanilino)pent-2-enal?
The IUPAC name of (Z)-3-(2-aminoanilino)pent-2-enal (CID 89064046) is (Z)-3-(2-aminoanilino)pent-2-enal.
What is the SMILES notation for (Z)-3-(2-aminoanilino)pent-2-enal?
The canonical SMILES for (Z)-3-(2-aminoanilino)pent-2-enal is CC/C(=C/C=O)Nc1ccccc1N.
What is the InChIKey of (Z)-3-(2-aminoanilino)pent-2-enal?
The InChIKey is JLYUJOQHMSVZCH-CLFYSBASSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-9(7-8-14)13-11-6-4-3-5-10(11)12/h3-8,13H,2,12H2,1H3/b9-7-.
What are the key properties of (Z)-3-(2-aminoanilino)pent-2-enal?
(Z)-3-(2-aminoanilino)pent-2-enal has a molecular weight of 190.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-aminoanilino)pent-2-enal is sourced from PubChem (CID 89064046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).