1-(4-ethylcyclohexyl)pyrrolidin-3-ol

C12H23NO — CID 64775694

IUPAC1-(4-ethylcyclohexyl)pyrrolidin-3-ol
SMILESCCC1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C12H23NO/c1-2-10-3-5-11(6-4-10)13-8-7-12(14)9-13/h10-12,14H,2-9H2,1H3
InChIKeyTVWBSOPKDDPTCB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds2

About 1-(4-ethylcyclohexyl)pyrrolidin-3-ol

1-(4-ethylcyclohexyl)pyrrolidin-3-ol (PubChem CID 64775694) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)pyrrolidin-3-ol
PubChem CID64775694
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(4-ethylcyclohexyl)pyrrolidin-3-ol
SMILESCCC1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C12H23NO/c1-2-10-3-5-11(6-4-10)13-8-7-12(14)9-13/h10-12,14H,2-9H2,1H3
InChIKeyTVWBSOPKDDPTCB-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-ethylcyclohexyl)pyrrolidin-3-ol (CID 64775694) is 1-(4-ethylcyclohexyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-ethylcyclohexyl)pyrrolidin-3-ol is CCC1CCC(N2CCC(O)C2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)pyrrolidin-3-ol?
The InChIKey is TVWBSOPKDDPTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-10-3-5-11(6-4-10)13-8-7-12(14)9-13/h10-12,14H,2-9H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)pyrrolidin-3-ol?
1-(4-ethylcyclohexyl)pyrrolidin-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)pyrrolidin-3-ol is sourced from PubChem (CID 64775694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).