(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one

C17H26N2O2 — CID 92858992

IUPAC(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one
SMILESCOc1cccc(/C=C\C(=O)C(CN(C)C)CN(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-18(2)12-15(13-19(3)4)17(20)10-9-14-7-6-8-16(11-14)21-5/h6-11,15H,12-13H2,1-5H3/b10-9-
InChIKeyMRGDKRUSLBXIPN-KTKRTIGZSA-N
MW290.41 g/mol
LogP2.02
Rot. Bonds8

About (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one

(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one (PubChem CID 92858992) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one
PubChem CID92858992
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one
SMILESCOc1cccc(/C=C\C(=O)C(CN(C)C)CN(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-18(2)12-15(13-19(3)4)17(20)10-9-14-7-6-8-16(11-14)21-5/h6-11,15H,12-13H2,1-5H3/b10-9-
InChIKeyMRGDKRUSLBXIPN-KTKRTIGZSA-N
XLogP2.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
[2-(dimethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 5238493
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
(E)-1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
CID 5388509
1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905907
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763
(1E,6E)-5-hydroxy-1,7-bis(3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 136703950
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
(E)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 7514790
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 85442663
(E)-4-[(dimethylamino)methyl]-1-phenylnon-1-en-3-one;hydrochloride
CID 6440190

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one?
The IUPAC name of (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one (CID 92858992) is (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one.
What is the SMILES notation for (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one?
The canonical SMILES for (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one is COc1cccc(/C=C\C(=O)C(CN(C)C)CN(C)C)c1.
What is the InChIKey of (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one?
The InChIKey is MRGDKRUSLBXIPN-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18(2)12-15(13-19(3)4)17(20)10-9-14-7-6-8-16(11-14)21-5/h6-11,15H,12-13H2,1-5H3/b10-9-.
What are the key properties of (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one?
(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one has a molecular weight of 290.41 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one is sourced from PubChem (CID 92858992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).