2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one

C14H25NO — CID 79548618

IUPAC2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCC(C)CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C14H25NO/c1-11(2)10-15-9-5-7-13(15)12-6-3-4-8-14(12)16/h11-13H,3-10H2,1-2H3
InChIKeyUQDSDIRXPFFKBW-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79548618) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79548618
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCC(C)CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C14H25NO/c1-11(2)10-15-9-5-7-13(15)12-6-3-4-8-14(12)16/h11-13H,3-10H2,1-2H3
InChIKeyUQDSDIRXPFFKBW-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79548618) is 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one is CC(C)CN1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is UQDSDIRXPFFKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)10-15-9-5-7-13(15)12-6-3-4-8-14(12)16/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 223.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79548618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).