2-[(4-methoxycyclohexyl)methyl]pyrrolidine

C12H23NO — CID 84733530

IUPAC2-[(4-methoxycyclohexyl)methyl]pyrrolidine
SMILESCOC1CCC(CC2CCCN2)CC1
InChIInChI=1S/C12H23NO/c1-14-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h10-13H,2-9H2,1H3
InChIKeyBJWCQCCXOAFIHG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About 2-[(4-methoxycyclohexyl)methyl]pyrrolidine

2-[(4-methoxycyclohexyl)methyl]pyrrolidine (PubChem CID 84733530) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(4-methoxycyclohexyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-methoxycyclohexyl)methyl]pyrrolidine
PubChem CID84733530
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(4-methoxycyclohexyl)methyl]pyrrolidine
SMILESCOC1CCC(CC2CCCN2)CC1
InChIInChI=1S/C12H23NO/c1-14-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h10-13H,2-9H2,1H3
InChIKeyBJWCQCCXOAFIHG-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycyclohexyl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-methoxycyclohexyl)methyl]pyrrolidine (CID 84733530) is 2-[(4-methoxycyclohexyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-methoxycyclohexyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-methoxycyclohexyl)methyl]pyrrolidine is COC1CCC(CC2CCCN2)CC1.
What is the InChIKey of 2-[(4-methoxycyclohexyl)methyl]pyrrolidine?
The InChIKey is BJWCQCCXOAFIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-14-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-[(4-methoxycyclohexyl)methyl]pyrrolidine?
2-[(4-methoxycyclohexyl)methyl]pyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycyclohexyl)methyl]pyrrolidine is sourced from PubChem (CID 84733530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).