(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide

C14H15N3O — CID 114181941

IUPAC(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C14H15N3O/c15-13-4-1-11(2-5-13)3-6-14(18)17-10-12-7-8-16-9-12/h1-9,16H,10,15H2,(H,17,18)/b6-3+
InChIKeyCNOMTIGMUYXFDQ-ZZXKWVIFSA-N
MW241.29 g/mol
LogP1.93
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide (PubChem CID 114181941) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
PubChem CID114181941
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C14H15N3O/c15-13-4-1-11(2-5-13)3-6-14(18)17-10-12-7-8-16-9-12/h1-9,16H,10,15H2,(H,17,18)/b6-3+
InChIKeyCNOMTIGMUYXFDQ-ZZXKWVIFSA-N
XLogP1.93
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
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)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 106385593
(E)-3-(4-nitrophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 106385535
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
(E)-3-(4-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
CID 115344050
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
(E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 113290978
3-methyl-N-(1H-pyrrol-3-ylmethyl)but-2-enamide
CID 106385306
(E)-3-(2-nitrophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 106385811
(E)-N-(1H-pyrrol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 106385586
(E)-3-(4-aminophenyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 113290891
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide (CID 114181941) is (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide is Nc1ccc(/C=C/C(=O)NCc2cc[nH]c2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide?
The InChIKey is CNOMTIGMUYXFDQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H15N3O/c15-13-4-1-11(2-5-13)3-6-14(18)17-10-12-7-8-16-9-12/h1-9,16H,10,15H2,(H,17,18)/b6-3+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 114181941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).