butane;cyclopropanone

C7H14O — CID 90112034

IUPACbutane;cyclopropanone
SMILESCCCC.O=C1CC1
InChIInChI=1S/C4H10.C3H4O/c1-3-4-2;4-3-1-2-3/h3-4H2,1-2H3;1-2H2
InChIKeyRJPZICJSQFRPDY-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.16
Rot. Bonds1

About butane;cyclopropanone

butane;cyclopropanone (PubChem CID 90112034) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is butane;cyclopropanone.

Molecular Properties

Compound Namebutane;cyclopropanone
PubChem CID90112034
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Namebutane;cyclopropanone
SMILESCCCC.O=C1CC1
InChIInChI=1S/C4H10.C3H4O/c1-3-4-2;4-3-1-2-3/h3-4H2,1-2H3;1-2H2
InChIKeyRJPZICJSQFRPDY-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;cyclopropanone?
The IUPAC name of butane;cyclopropanone (CID 90112034) is butane;cyclopropanone.
What is the SMILES notation for butane;cyclopropanone?
The canonical SMILES for butane;cyclopropanone is CCCC.O=C1CC1.
What is the InChIKey of butane;cyclopropanone?
The InChIKey is RJPZICJSQFRPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H4O/c1-3-4-2;4-3-1-2-3/h3-4H2,1-2H3;1-2H2.
What are the key properties of butane;cyclopropanone?
butane;cyclopropanone has a molecular weight of 114.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cyclopropanone is sourced from PubChem (CID 90112034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).