1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine

C15H21NO — CID 102449960

IUPAC1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1CCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C15H21NO/c1-3-5-14-6-4-11-16(14)12-13-7-9-15(17-2)10-8-13/h3,5,7-10,14H,4,6,11-12H2,1-2H3/b5-3+
InChIKeyCZZQVVCLOFZNAU-HWKANZROSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine

1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine (PubChem CID 102449960) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine
PubChem CID102449960
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1CCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C15H21NO/c1-3-5-14-6-4-11-16(14)12-13-7-9-15(17-2)10-8-13/h3,5,7-10,14H,4,6,11-12H2,1-2H3/b5-3+
InChIKeyCZZQVVCLOFZNAU-HWKANZROSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine
CID 102449955
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 102386977
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
(1S)-2-[(4-methoxyphenyl)methyl]-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline
CID 102483415
1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine
CID 102408699
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62580916
1-[(4-methoxyphenyl)methyl]-7-methyl-2,3,4,7-tetrahydroazepine
CID 102449959
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 92595912
(3R)-2-[(4-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211255
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine (CID 102449960) is 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine is C/C=C/C1CCCN1Cc1ccc(OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine?
The InChIKey is CZZQVVCLOFZNAU-HWKANZROSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-14-6-4-11-16(14)12-13-7-9-15(17-2)10-8-13/h3,5,7-10,14H,4,6,11-12H2,1-2H3/b5-3+.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine?
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine is sourced from PubChem (CID 102449960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).