(E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one

C9H15NO — CID 131242801

IUPAC(E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)C1CCC1
InChIInChI=1S/C9H15NO/c1-10(2)7-6-9(11)8-4-3-5-8/h6-8H,3-5H2,1-2H3/b7-6+
InChIKeyAMKKUGVOYLCOKM-VOTSOKGWSA-N
MW153.22 g/mol
LogP1.43
Rot. Bonds3

About (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one

(E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one (PubChem CID 131242801) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one
PubChem CID131242801
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)C1CCC1
InChIInChI=1S/C9H15NO/c1-10(2)7-6-9(11)8-4-3-5-8/h6-8H,3-5H2,1-2H3/b7-6+
InChIKeyAMKKUGVOYLCOKM-VOTSOKGWSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.43
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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1-cyclohexyl-3-hydroxyprop-2-en-1-one
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(E)-1-cyclohexylpent-2-en-1-one
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sodium 3-cyclopentyl-3-oxoprop-1-en-1-olate
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tert-butyl 3-[3-(dimethylamino)prop-2-enoyl]pyrrolidine-1-carboxylate
CID 67348822
(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1472918
(E)-1-(3-methylcyclohexyl)but-2-en-1-one
CID 103453237
(Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal
CID 13163937
1,7-bis(dimethylamino)hepta-1,6-diene-3,4,5-trione
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2-cyclopentyl-2-oxoacetaldehyde
CID 21413208
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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one (CID 131242801) is (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one is CN(C)/C=C/C(=O)C1CCC1.
What is the InChIKey of (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is AMKKUGVOYLCOKM-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)7-6-9(11)8-4-3-5-8/h6-8H,3-5H2,1-2H3/b7-6+.
What are the key properties of (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one?
(E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 131242801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).