3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one

C14H17NO2 — CID 2929140

IUPAC3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESCOc1ccccc1C=CC(=O)N1CCCC1
InChIInChI=1S/C14H17NO2/c1-17-13-7-3-2-6-12(13)8-9-14(16)15-10-4-5-11-15/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyKRZTVPRMSBMBMO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.33
Rot. Bonds3

About 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one

3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 2929140) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID2929140
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESCOc1ccccc1C=CC(=O)N1CCCC1
InChIInChI=1S/C14H17NO2/c1-17-13-7-3-2-6-12(13)8-9-14(16)15-10-4-5-11-15/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyKRZTVPRMSBMBMO-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 102603388
(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 46559839
(E)-1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 108935060
(E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone
CID 11119937
(E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 134005407
(E)-3-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 51058065
1-[3-(2-methoxyphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 126771752
(E)-3-(2-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 55673099
1-(azepan-1-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 102603138
4-[3-(2-methoxyphenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111354
N-(azepane-1-carbothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 927039

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one (CID 2929140) is 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one is COc1ccccc1C=CC(=O)N1CCCC1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is KRZTVPRMSBMBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-13-7-3-2-6-12(13)8-9-14(16)15-10-4-5-11-15/h2-3,6-9H,4-5,10-11H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one?
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 2929140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).