(Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide

C14H25NO2 — CID 55086594

IUPAC(Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C14H25NO2/c1-4-5-12(3)13(17)15-14(10-16)8-6-11(2)7-9-14/h5,11,16H,4,6-10H2,1-3H3,(H,15,17)/b12-5-
InChIKeyMBOUPJIVQVYZFE-XGICHPGQSA-N
MW239.36 g/mol
LogP2.40
Rot. Bonds4

About (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide

(Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide (PubChem CID 55086594) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide
PubChem CID55086594
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C14H25NO2/c1-4-5-12(3)13(17)15-14(10-16)8-6-11(2)7-9-14/h5,11,16H,4,6-10H2,1-3H3,(H,15,17)/b12-5-
InChIKeyMBOUPJIVQVYZFE-XGICHPGQSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide (CID 55086594) is (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide?
The InChIKey is MBOUPJIVQVYZFE-XGICHPGQSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-12(3)13(17)15-14(10-16)8-6-11(2)7-9-14/h5,11,16H,4,6-10H2,1-3H3,(H,15,17)/b12-5-.
What are the key properties of (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide?
(Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpent-2-enamide is sourced from PubChem (CID 55086594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).