1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione

C10H14O2 — CID 140656143

IUPAC1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione
SMILESC=C(C(=O)C(C)C)C(=O)C1CC1
InChIInChI=1S/C10H14O2/c1-6(2)9(11)7(3)10(12)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeySZDGGOHOZGRHPS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds4

About 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione

1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione (PubChem CID 140656143) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione
PubChem CID140656143
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione
SMILESC=C(C(=O)C(C)C)C(=O)C1CC1
InChIInChI=1S/C10H14O2/c1-6(2)9(11)7(3)10(12)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeySZDGGOHOZGRHPS-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclopentanecarbonyl)prop-2-enoate
CID 126552661
2-fluoro-4-methylpent-1-en-3-one
CID 135183491
2-methyl-1-[3-(2-methylprop-2-enoyl)cyclopentyl]prop-2-en-1-one
CID 163562388
propan-2-yl cyclopropanecarboxylate
CID 550170
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
1-(1-cyclopropylethenoxy)-3-methylbutan-2-one
CID 158298663
ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate
CID 64919879
(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one
CID 59677798
1-cyclopropyl-2,4-dimethylpentane-1,3-dione
CID 64920290
methyl 3-cyclopropyl-2,3-dioxopropanoate
CID 142370646
1-cyclopropylbutane-1,2,3-trione
CID 57279624
(2S)-1-cyclopropyl-2-hydroxypropan-1-one
CID 124679592

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione?
The IUPAC name of 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione (CID 140656143) is 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione.
What is the SMILES notation for 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione?
The canonical SMILES for 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione is C=C(C(=O)C(C)C)C(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione?
The InChIKey is SZDGGOHOZGRHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6(2)9(11)7(3)10(12)8-4-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione?
1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione has a molecular weight of 166.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione is sourced from PubChem (CID 140656143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).