(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide

C14H19N3O — CID 115343735

IUPAC(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide
SMILESCN1CCC(NC(=O)/C=C/c2ccc(N)cc2)C1
InChIInChI=1S/C14H19N3O/c1-17-9-8-13(10-17)16-14(18)7-4-11-2-5-12(15)6-3-11/h2-7,13H,8-10,15H2,1H3,(H,16,18)/b7-4+
InChIKeyRZOPYJUNOUFGTM-QPJJXVBHSA-N
MW245.33 g/mol
LogP1.10
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide (PubChem CID 115343735) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide
PubChem CID115343735
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide
SMILESCN1CCC(NC(=O)/C=C/c2ccc(N)cc2)C1
InChIInChI=1S/C14H19N3O/c1-17-9-8-13(10-17)16-14(18)7-4-11-2-5-12(15)6-3-11/h2-7,13H,8-10,15H2,1H3,(H,16,18)/b7-4+
InChIKeyRZOPYJUNOUFGTM-QPJJXVBHSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Procainamide
CID 4913
Procainamide Hydrochloride
CID 66068
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CID 2329349
1-(4-Aminobenzyl)-3-[2-Oxo-2-(Pyrrolidin-1-Yl)ethyl]urea
CID 53261396
N-{4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl}acetamide
CID 3752897
(Z)-5-(4-(diethylamino)benzylidene)imidazolidine-2,4-dione
CID 5961114
1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-p-tolylamino-1H-pyridin-2-one
CID 44269895
alpha-Methyl-N-(2-methylphenyl)-1-pyrrolidineacetamide
CID 71695
2(1H)-Pyridinone, 3-(((2-aminophenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454360
1-[(4-Aminophenyl)methyl]-4-hexylpyridin-2-one
CID 121493779
N-cyclohexyl-N'-(4-methylphenyl)ethanediamide
CID 2271538

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide (CID 115343735) is (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide is CN1CCC(NC(=O)/C=C/c2ccc(N)cc2)C1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide?
The InChIKey is RZOPYJUNOUFGTM-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-9-8-13(10-17)16-14(18)7-4-11-2-5-12(15)6-3-11/h2-7,13H,8-10,15H2,1H3,(H,16,18)/b7-4+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide has a molecular weight of 245.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 115343735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).