N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide

C14H18N2O2 — CID 139018722

IUPACN-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H18N2O2/c1-3-14(17)15-11-8-9-16(10-11)12-4-6-13(18-2)7-5-12/h3-7,11H,1,8-10H2,2H3,(H,15,17)
InChIKeyPSWUADGLQABFPJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds4

About N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide

N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide (PubChem CID 139018722) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
PubChem CID139018722
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H18N2O2/c1-3-14(17)15-11-8-9-16(10-11)12-4-6-13(18-2)7-5-12/h3-7,11H,1,8-10H2,2H3,(H,15,17)
InChIKeyPSWUADGLQABFPJ-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004298
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 95326859
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide
CID 91644359
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120942736
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119899355
(2R)-2-imidazol-1-yl-N-[1-(4-methoxyphenyl)piperidin-4-yl]propanamide
CID 95291018
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide
CID 166406195
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide (CID 139018722) is N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)NC1CCN(c2ccc(OC)cc2)C1.
What is the InChIKey of N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is PSWUADGLQABFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-14(17)15-11-8-9-16(10-11)12-4-6-13(18-2)7-5-12/h3-7,11H,1,8-10H2,2H3,(H,15,17).
What are the key properties of N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide?
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 246.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 139018722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).