N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide

C14H25NO2 — CID 77056645

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H25NO2/c1-4-5-12(3)13(16)15-10-14(17)8-6-11(2)7-9-14/h5,11,17H,4,6-10H2,1-3H3,(H,15,16)
InChIKeyNSPNXMWROSRELQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.40
Rot. Bonds4

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide (PubChem CID 77056645) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide
PubChem CID77056645
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H25NO2/c1-4-5-12(3)13(16)15-10-14(17)8-6-11(2)7-9-14/h5,11,17H,4,6-10H2,1-3H3,(H,15,16)
InChIKeyNSPNXMWROSRELQ-UHFFFAOYSA-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 N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide (CID 77056645) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide is CCC=C(C)C(=O)NCC1(O)CCC(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide?
The InChIKey is NSPNXMWROSRELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-12(3)13(16)15-10-14(17)8-6-11(2)7-9-14/h5,11,17H,4,6-10H2,1-3H3,(H,15,16).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-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 N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 77056645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).