2-methyl-1-(1-methylcyclopropyl)pentan-1-one

C10H18O — CID 107896359

IUPAC2-methyl-1-(1-methylcyclopropyl)pentan-1-one
SMILESCCCC(C)C(=O)C1(C)CC1
InChIInChI=1S/C10H18O/c1-4-5-8(2)9(11)10(3)6-7-10/h8H,4-7H2,1-3H3
InChIKeyKDRRGPTZYIYJDN-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds4

About 2-methyl-1-(1-methylcyclopropyl)pentan-1-one

2-methyl-1-(1-methylcyclopropyl)pentan-1-one (PubChem CID 107896359) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-methyl-1-(1-methylcyclopropyl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methylcyclopropyl)pentan-1-one
PubChem CID107896359
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-methyl-1-(1-methylcyclopropyl)pentan-1-one
SMILESCCCC(C)C(=O)C1(C)CC1
InChIInChI=1S/C10H18O/c1-4-5-8(2)9(11)10(3)6-7-10/h8H,4-7H2,1-3H3
InChIKeyKDRRGPTZYIYJDN-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2-methylthiolan-2-yl)pentan-1-one
CID 81451959
(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 165451319
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348
1-[1-(aminomethyl)cycloheptyl]-2-methylpentan-1-one
CID 107890324
1-(1-methoxycycloheptyl)-2-methylpentan-1-one
CID 107896414
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
CID 107896407
1-[1-(aminomethyl)cyclohexyl]-2-methylpentan-1-one
CID 107890311
(6S)-4,6-dimethylnonan-5-one
CID 177467625
(2S)-2-amino-3-methyl-1-(1-methylcyclopropyl)pentan-1-one
CID 138478496
(4R)-4-methylheptan-3-one
CID 12696684
CID 159174397
CID 159174397
(4R)-2,4-dimethylheptan-3-one
CID 6999069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylcyclopropyl)pentan-1-one?
The IUPAC name of 2-methyl-1-(1-methylcyclopropyl)pentan-1-one (CID 107896359) is 2-methyl-1-(1-methylcyclopropyl)pentan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methylcyclopropyl)pentan-1-one?
The canonical SMILES for 2-methyl-1-(1-methylcyclopropyl)pentan-1-one is CCCC(C)C(=O)C1(C)CC1.
What is the InChIKey of 2-methyl-1-(1-methylcyclopropyl)pentan-1-one?
The InChIKey is KDRRGPTZYIYJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-8(2)9(11)10(3)6-7-10/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylcyclopropyl)pentan-1-one?
2-methyl-1-(1-methylcyclopropyl)pentan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylcyclopropyl)pentan-1-one is sourced from PubChem (CID 107896359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).