1-cyclopropyl-2-methylprop-2-en-1-one

C7H10O — CID 12870153

IUPAC1-cyclopropyl-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1CC1
InChIInChI=1S/C7H10O/c1-5(2)7(8)6-3-4-6/h6H,1,3-4H2,2H3
InChIKeySITFVXSQXDOJEO-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds2

About 1-cyclopropyl-2-methylprop-2-en-1-one

1-cyclopropyl-2-methylprop-2-en-1-one (PubChem CID 12870153) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-cyclopropyl-2-methylprop-2-en-1-one
PubChem CID12870153
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name1-cyclopropyl-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1CC1
InChIInChI=1S/C7H10O/c1-5(2)7(8)6-3-4-6/h6H,1,3-4H2,2H3
InChIKeySITFVXSQXDOJEO-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl-1-penten-3-one
CID 549794
Ethanone, 1-(methylenecyclopropyl)-
CID 538520
5-Methyl-3-methylene-2-hexanone
CID 14473
(4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one
CID 162922621
Cyclopropane, 2-methylene-1-propionyl-
CID 556829
(3R)-3-methyl-2-methylidenecyclopentan-1-one
CID 11137120
2,5-Dimethylhex-1-en-3-one
CID 13485261
2,4-Dimeth-yl-1-hexen-3-one
CID 79179676
6-Fluoro-2-methyl-4-methylidenehexan-3-one
CID 153578247
4-Fluoro-2,5-dimethylhex-1-en-3-one
CID 173672854
2,6-Dimethyl-3-methylideneheptan-4-one
CID 85789738
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-one
CID 102321615

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylprop-2-en-1-one?
The IUPAC name of 1-cyclopropyl-2-methylprop-2-en-1-one (CID 12870153) is 1-cyclopropyl-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-cyclopropyl-2-methylprop-2-en-1-one?
The canonical SMILES for 1-cyclopropyl-2-methylprop-2-en-1-one is C=C(C)C(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylprop-2-en-1-one?
The InChIKey is SITFVXSQXDOJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-5(2)7(8)6-3-4-6/h6H,1,3-4H2,2H3.
What are the key properties of 1-cyclopropyl-2-methylprop-2-en-1-one?
1-cyclopropyl-2-methylprop-2-en-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylprop-2-en-1-one is sourced from PubChem (CID 12870153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).