[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone

C15H17NO — CID 154121053

IUPAC[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESCN(C)C1(C(=O)c2ccccc2)C=CC=CC1
InChIInChI=1S/C15H17NO/c1-16(2)15(11-7-4-8-12-15)14(17)13-9-5-3-6-10-13/h3-11H,12H2,1-2H3
InChIKeyKCGMEYWCJHCQGG-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.69
Rot. Bonds3

About [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone

[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone (PubChem CID 154121053) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone
PubChem CID154121053
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESCN(C)C1(C(=O)c2ccccc2)C=CC=CC1
InChIInChI=1S/C15H17NO/c1-16(2)15(11-7-4-8-12-15)14(17)13-9-5-3-6-10-13/h3-11H,12H2,1-2H3
InChIKeyKCGMEYWCJHCQGG-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclopent-3-en-1-yl)-phenylmethanone
CID 11106063
N-methyl-N-(1-methylcyclopropyl)benzamide
CID 66675854
(1-fluorocyclopropyl)-phenylmethanone
CID 18983537
3-[1-(dihydroxymethoxy)cyclohexa-2,4-dien-1-yl]-1-phenylprop-2-en-1-one
CID 130475801
(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone
CID 2750591
(E)-1-(1-benzoylcyclopropyl)-3-(dimethylamino)prop-2-en-1-one
CID 102597166
bis(4-benzoyl-4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 67009867
(1-methylcyclohexa-2,4-dien-1-yl)-phenylmethanol
CID 71773988
(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol
CID 97049928
(1,6-dichlorocyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 174997196
(1-benzoylcyclooctyl)-phenylmethanone
CID 175521310
(3-methyl-1,4-dioxaspiro[4.4]nonan-3-yl)-phenylmethanone
CID 22416111

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The IUPAC name of [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone (CID 154121053) is [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone.
What is the SMILES notation for [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The canonical SMILES for [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone is CN(C)C1(C(=O)c2ccccc2)C=CC=CC1.
What is the InChIKey of [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The InChIKey is KCGMEYWCJHCQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(2)15(11-7-4-8-12-15)14(17)13-9-5-3-6-10-13/h3-11H,12H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone has a molecular weight of 227.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone is sourced from PubChem (CID 154121053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).