(1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone

C11H19NO2 — CID 67249976

IUPAC(1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(O)CCCCC1
InChIInChI=1S/C11H19NO2/c13-10(12-8-4-5-9-12)11(14)6-2-1-3-7-11/h14H,1-9H2
InChIKeyKSHVIOHQVVODHM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.30
Rot. Bonds1

About (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone

(1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone (PubChem CID 67249976) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone
PubChem CID67249976
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(O)CCCCC1
InChIInChI=1S/C11H19NO2/c13-10(12-8-4-5-9-12)11(14)6-2-1-3-7-11/h14H,1-9H2
InChIKeyKSHVIOHQVVODHM-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone (CID 67249976) is (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)C1(O)CCCCC1.
What is the InChIKey of (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone?
The InChIKey is KSHVIOHQVVODHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10(12-8-4-5-9-12)11(14)6-2-1-3-7-11/h14H,1-9H2.
What are the key properties of (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone?
(1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone has a molecular weight of 197.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclohexyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 67249976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).