N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide

C12H21NO2 — CID 62525414

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
SMILESCC1CCC(CO)(NC(=O)C2CC2)CC1
InChIInChI=1S/C12H21NO2/c1-9-4-6-12(8-14,7-5-9)13-11(15)10-2-3-10/h9-10,14H,2-8H2,1H3,(H,13,15)
InChIKeyXDSZCWFQZRGUIP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.45
Rot. Bonds3

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide (PubChem CID 62525414) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
PubChem CID62525414
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
SMILESCC1CCC(CO)(NC(=O)C2CC2)CC1
InChIInChI=1S/C12H21NO2/c1-9-4-6-12(8-14,7-5-9)13-11(15)10-2-3-10/h9-10,14H,2-8H2,1H3,(H,13,15)
InChIKeyXDSZCWFQZRGUIP-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide (CID 62525414) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide is CC1CCC(CO)(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide?
The InChIKey is XDSZCWFQZRGUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-4-6-12(8-14,7-5-9)13-11(15)10-2-3-10/h9-10,14H,2-8H2,1H3,(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 62525414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).