(3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone

C15H27NO — CID 106976908

IUPAC(3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)C2CCCC(C)C2)CCCN1
InChIInChI=1S/C15H27NO/c1-3-8-15(9-5-10-16-15)14(17)13-7-4-6-12(2)11-13/h12-13,16H,3-11H2,1-2H3
InChIKeyFAULWEPUNVNLKO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.30
Rot. Bonds4

About (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone

(3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106976908) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106976908
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)C2CCCC(C)C2)CCCN1
InChIInChI=1S/C15H27NO/c1-3-8-15(9-5-10-16-15)14(17)13-7-4-6-12(2)11-13/h12-13,16H,3-11H2,1-2H3
InChIKeyFAULWEPUNVNLKO-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone (CID 106976908) is (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)C2CCCC(C)C2)CCCN1.
What is the InChIKey of (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is FAULWEPUNVNLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-8-15(9-5-10-16-15)14(17)13-7-4-6-12(2)11-13/h12-13,16H,3-11H2,1-2H3.
What are the key properties of (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone?
(3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 237.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106976908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).