N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide

C12H21NO2 — CID 106123870

IUPACN-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)7-12(15)13-8-10-3-5-11(14)6-4-10/h7,10-11,14H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyQVJQNBHRQXPJDI-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.62
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide

N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide (PubChem CID 106123870) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
PubChem CID106123870
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)7-12(15)13-8-10-3-5-11(14)6-4-10/h7,10-11,14H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyQVJQNBHRQXPJDI-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.62
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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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
3-methyl-N-[(3-methylcyclohexyl)methyl]but-2-enamide
CID 130157819
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide
CID 130157235
(E)-N-(cyclopropylmethyl)but-2-enamide
CID 22978312
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide
CID 106123398

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide (CID 106123870) is N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide?
The InChIKey is QVJQNBHRQXPJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)7-12(15)13-8-10-3-5-11(14)6-4-10/h7,10-11,14H,3-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide?
N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide has a molecular weight of 211.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide is sourced from PubChem (CID 106123870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).