3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide

C12H24N2O2 — CID 176717194

IUPAC3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide
SMILESCC1CCCC(O)C1.NC(=O)C1CCCN1
InChIInChI=1S/C7H14O.C5H10N2O/c1-6-3-2-4-7(8)5-6;6-5(8)4-2-1-3-7-4/h6-8H,2-5H2,1H3;4,7H,1-3H2,(H2,6,8)
InChIKeyIWTJIELNVFZMGB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds1

About 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide

3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide (PubChem CID 176717194) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide
PubChem CID176717194
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide
SMILESCC1CCCC(O)C1.NC(=O)C1CCCN1
InChIInChI=1S/C7H14O.C5H10N2O/c1-6-3-2-4-7(8)5-6;6-5(8)4-2-1-3-7-4/h6-8H,2-5H2,1H3;4,7H,1-3H2,(H2,6,8)
InChIKeyIWTJIELNVFZMGB-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide?
The IUPAC name of 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide (CID 176717194) is 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide is CC1CCCC(O)C1.NC(=O)C1CCCN1.
What is the InChIKey of 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide?
The InChIKey is IWTJIELNVFZMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C5H10N2O/c1-6-3-2-4-7(8)5-6;6-5(8)4-2-1-3-7-4/h6-8H,2-5H2,1H3;4,7H,1-3H2,(H2,6,8).
What are the key properties of 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide?
3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohexan-1-ol;pyrrolidine-2-carboxamide is sourced from PubChem (CID 176717194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).