1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one

C24H25NO — CID 3481310

IUPAC1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C=CC2=C(N3CCCC3)CCc3ccccc32)cc1
InChIInChI=1S/C24H25NO/c1-18-8-10-20(11-9-18)24(26)15-13-22-21-7-3-2-6-19(21)12-14-23(22)25-16-4-5-17-25/h2-3,6-11,13,15H,4-5,12,14,16-17H2,1H3
InChIKeyYNXGGXBRLFSPFI-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.19
Rot. Bonds4

About 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one

1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one (PubChem CID 3481310) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one
PubChem CID3481310
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one
SMILESCc1ccc(C(=O)C=CC2=C(N3CCCC3)CCc3ccccc32)cc1
InChIInChI=1S/C24H25NO/c1-18-8-10-20(11-9-18)24(26)15-13-22-21-7-3-2-6-19(21)12-14-23(22)25-16-4-5-17-25/h2-3,6-11,13,15H,4-5,12,14,16-17H2,1H3
InChIKeyYNXGGXBRLFSPFI-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.19
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-(4-chlorophenyl)-3-(2-pyrrolidin-1-yl-3H-inden-1-yl)prop-2-en-1-one
CID 4140745
3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-(3-bromophenyl)prop-2-en-1-one
CID 2778153
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
(E)-3-(2-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560783
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
2-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzoyl chloride
CID 154379955
(E)-1-(4-bromophenyl)-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one
CID 7004086
3-[5-(4-methylphenyl)thiophen-2-yl]-1-phenylprop-2-en-1-one
CID 71366312
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
(E)-1-(4-methylphenyl)-3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 5370790
(E)-3-(2-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one
CID 17404979

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one (CID 3481310) is 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one is Cc1ccc(C(=O)C=CC2=C(N3CCCC3)CCc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one?
The InChIKey is YNXGGXBRLFSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-18-8-10-20(11-9-18)24(26)15-13-22-21-7-3-2-6-19(21)12-14-23(22)25-16-4-5-17-25/h2-3,6-11,13,15H,4-5,12,14,16-17H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one?
1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one has a molecular weight of 343.47 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-pyrrolidin-1-yl-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one is sourced from PubChem (CID 3481310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).