1-cyclopropyl-3-(oxan-2-yl)propan-1-one

C11H18O2 — CID 79416719

IUPAC1-cyclopropyl-3-(oxan-2-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)C1CC1
InChIInChI=1S/C11H18O2/c12-11(9-4-5-9)7-6-10-3-1-2-8-13-10/h9-10H,1-8H2
InChIKeyNPLRNZZELGXIJW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds4

About 1-cyclopropyl-3-(oxan-2-yl)propan-1-one

1-cyclopropyl-3-(oxan-2-yl)propan-1-one (PubChem CID 79416719) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(oxan-2-yl)propan-1-one
PubChem CID79416719
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-cyclopropyl-3-(oxan-2-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)C1CC1
InChIInChI=1S/C11H18O2/c12-11(9-4-5-9)7-6-10-3-1-2-8-13-10/h9-10H,1-8H2
InChIKeyNPLRNZZELGXIJW-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
CID 116557342
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
1-(oxan-2-yl)hex-5-yn-3-one
CID 114962049
1-[4-(aminomethyl)cyclohexyl]-4-(oxolan-2-yl)butan-1-one
CID 116592511
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one
CID 65425226
cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320914
3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66030722
2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one
CID 114969240
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 63951763

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(oxan-2-yl)propan-1-one (CID 79416719) is 1-cyclopropyl-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(oxan-2-yl)propan-1-one is O=C(CCC1CCCCO1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(oxan-2-yl)propan-1-one?
The InChIKey is NPLRNZZELGXIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-11(9-4-5-9)7-6-10-3-1-2-8-13-10/h9-10H,1-8H2.
What are the key properties of 1-cyclopropyl-3-(oxan-2-yl)propan-1-one?
1-cyclopropyl-3-(oxan-2-yl)propan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 79416719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).