(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide

C15H20N2O — CID 97305240

IUPAC(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
SMILESC/C=C\C(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C15H20N2O/c1-3-6-15(18)16-14-8-7-13(11-12(14)2)17-9-4-5-10-17/h3,6-8,11H,4-5,9-10H2,1-2H3,(H,16,18)/b6-3-
InChIKeyWNRNAJHOCUPHCT-UTCJRWHESA-N
MW244.34 g/mol
LogP3.11
Rot. Bonds3

About (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide

(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide (PubChem CID 97305240) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
PubChem CID97305240
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
SMILESC/C=C\C(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C15H20N2O/c1-3-6-15(18)16-14-8-7-13(11-12(14)2)17-9-4-5-10-17/h3,6-8,11H,4-5,9-10H2,1-2H3,(H,16,18)/b6-3-
InChIKeyWNRNAJHOCUPHCT-UTCJRWHESA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78775496
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
CID 8007386
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 18090314
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide?
The IUPAC name of (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide (CID 97305240) is (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide.
What is the SMILES notation for (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide?
The canonical SMILES for (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide is C/C=C\C(=O)Nc1ccc(N2CCCC2)cc1C.
What is the InChIKey of (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide?
The InChIKey is WNRNAJHOCUPHCT-UTCJRWHESA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-6-15(18)16-14-8-7-13(11-12(14)2)17-9-4-5-10-17/h3,6-8,11H,4-5,9-10H2,1-2H3,(H,16,18)/b6-3-.
What are the key properties of (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide?
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide has a molecular weight of 244.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide is sourced from PubChem (CID 97305240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).