2-pyrrolidin-2-ylcyclohexan-1-one

C10H17NO — CID 71755693

IUPAC2-pyrrolidin-2-ylcyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1
InChIInChI=1S/C10H17NO/c12-10-6-2-1-4-8(10)9-5-3-7-11-9/h8-9,11H,1-7H2
InChIKeyNHPRYPGSMPYAOM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds1

About 2-pyrrolidin-2-ylcyclohexan-1-one

2-pyrrolidin-2-ylcyclohexan-1-one (PubChem CID 71755693) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-pyrrolidin-2-ylcyclohexan-1-one
PubChem CID71755693
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-pyrrolidin-2-ylcyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1
InChIInChI=1S/C10H17NO/c12-10-6-2-1-4-8(10)9-5-3-7-11-9/h8-9,11H,1-7H2
InChIKeyNHPRYPGSMPYAOM-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylcyclohexan-1-one?
The IUPAC name of 2-pyrrolidin-2-ylcyclohexan-1-one (CID 71755693) is 2-pyrrolidin-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-pyrrolidin-2-ylcyclohexan-1-one?
The canonical SMILES for 2-pyrrolidin-2-ylcyclohexan-1-one is O=C1CCCCC1C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-ylcyclohexan-1-one?
The InChIKey is NHPRYPGSMPYAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-6-2-1-4-8(10)9-5-3-7-11-9/h8-9,11H,1-7H2.
What are the key properties of 2-pyrrolidin-2-ylcyclohexan-1-one?
2-pyrrolidin-2-ylcyclohexan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylcyclohexan-1-one is sourced from PubChem (CID 71755693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).