N-(3-aminophenyl)pent-2-enamide

C11H14N2O — CID 123923542

IUPACN-(3-aminophenyl)pent-2-enamide
SMILESCCC=CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H14N2O/c1-2-3-7-11(14)13-10-6-4-5-9(12)8-10/h3-8H,2,12H2,1H3,(H,13,14)
InChIKeyYXFQOUOGHSMOKT-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.17
Rot. Bonds3

About N-(3-aminophenyl)pent-2-enamide

N-(3-aminophenyl)pent-2-enamide (PubChem CID 123923542) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(3-aminophenyl)pent-2-enamide.

Molecular Properties

Compound NameN-(3-aminophenyl)pent-2-enamide
PubChem CID123923542
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-(3-aminophenyl)pent-2-enamide
SMILESCCC=CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H14N2O/c1-2-3-7-11(14)13-10-6-4-5-9(12)8-10/h3-8H,2,12H2,1H3,(H,13,14)
InChIKeyYXFQOUOGHSMOKT-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-tert-butylphenyl)pent-2-enamide
CID 142913235
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
3-[4-(3-aminobenzoyl)oxybut-2-enoylamino]benzoic acid
CID 123258606
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
1-(3-aminophenyl)-3-ethylthiourea
CID 122416783
(E,2E)-N-(3-aminophenyl)-2-(3-methylbut-2-enylidene)hept-3-enamide
CID 143753296
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)pent-2-enamide?
The IUPAC name of N-(3-aminophenyl)pent-2-enamide (CID 123923542) is N-(3-aminophenyl)pent-2-enamide.
What is the SMILES notation for N-(3-aminophenyl)pent-2-enamide?
The canonical SMILES for N-(3-aminophenyl)pent-2-enamide is CCC=CC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)pent-2-enamide?
The InChIKey is YXFQOUOGHSMOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-3-7-11(14)13-10-6-4-5-9(12)8-10/h3-8H,2,12H2,1H3,(H,13,14).
What are the key properties of N-(3-aminophenyl)pent-2-enamide?
N-(3-aminophenyl)pent-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)pent-2-enamide is sourced from PubChem (CID 123923542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).