(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one

C13H17NO — CID 19616589

IUPAC(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\N(C)C)cc1C
InChIInChI=1S/C13H17NO/c1-10-5-6-12(9-11(10)2)13(15)7-8-14(3)4/h5-9H,1-4H3/b8-7-
InChIKeySLLJLNGZUQJZCR-FPLPWBNLSA-N
MW203.28 g/mol
LogP2.56
Rot. Bonds3

About (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one

(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one (PubChem CID 19616589) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
PubChem CID19616589
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\N(C)C)cc1C
InChIInChI=1S/C13H17NO/c1-10-5-6-12(9-11(10)2)13(15)7-8-14(3)4/h5-9H,1-4H3/b8-7-
InChIKeySLLJLNGZUQJZCR-FPLPWBNLSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.56
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

3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213
(E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1481362
(E)-1-(3,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 63706116
3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 66935305
3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one
CID 91007742
methyl N-[[5-[3-(dimethylamino)prop-2-enoyl]-2-methylphenyl]methyl]carbamate
CID 123663859
1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 2806204
(E)-3-[4-(dimethylamino)anilino]-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 51045881
(E)-3-(dimethylamino)-1-(2-hydroxy-4,5-dimethylphenyl)prop-2-en-1-one
CID 12535994
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
3-(dimethylamino)-1-(2,5-dimethylphenyl)prop-2-en-1-one
CID 57362091

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one (CID 19616589) is (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C\N(C)C)cc1C.
What is the InChIKey of (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one?
The InChIKey is SLLJLNGZUQJZCR-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-5-6-12(9-11(10)2)13(15)7-8-14(3)4/h5-9H,1-4H3/b8-7-.
What are the key properties of (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one?
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one has a molecular weight of 203.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 19616589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).