5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride

C19H22ClNO — CID 117066949

IUPAC5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride
SMILESCN(C)CCC(=O)C=C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H21NO.ClH/c1-20(2)14-13-18(21)15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H
InChIKeyPIFWZWKNAGMSPM-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.06
Rot. Bonds6

About 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride

5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride (PubChem CID 117066949) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride.

Molecular Properties

Compound Name5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride
PubChem CID117066949
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride
SMILESCN(C)CCC(=O)C=C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H21NO.ClH/c1-20(2)14-13-18(21)15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H
InChIKeyPIFWZWKNAGMSPM-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.06
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

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CID 69091035
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CID 53349627
4-benzylidene-1,7-bis(dimethylamino)heptane-3,5-dione;hydrochloride
CID 54611069
[4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone
CID 101131366
5-(dimethylamino)-2-methyl-3-phenylpent-2-enamide
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4,4-diphenylbut-3-en-2-one;hydrazine
CID 158754130
4,4-diphenylbut-3-en-2-one;ethane;propan-2-one
CID 91332557
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
[1-[2-(dimethylamino)ethyl]pyridin-1-ium-4-yl]-phenylmethanone;chloride;hydrochloride
CID 24746914
benzoic acid;bis(N,N-dimethyldodecan-1-amine);hydrochloride
CID 175115715
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CID 13496280
methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate
CID 82347407

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride?
The IUPAC name of 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride (CID 117066949) is 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride.
What is the SMILES notation for 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride?
The canonical SMILES for 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride is CN(C)CCC(=O)C=C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride?
The InChIKey is PIFWZWKNAGMSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.ClH/c1-20(2)14-13-18(21)15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H.
What are the key properties of 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride?
5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,1-diphenylpent-1-en-3-one;hydrochloride is sourced from PubChem (CID 117066949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).