N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide

C12H23NO2 — CID 61245294

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-10(4)12(15)13-11(8-14)7-9(2)3/h6,9,11,14H,5,7-8H2,1-4H3,(H,13,15)
InChIKeyXSBAEPWFWVAVPG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide (PubChem CID 61245294) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide
PubChem CID61245294
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-10(4)12(15)13-11(8-14)7-9(2)3/h6,9,11,14H,5,7-8H2,1-4H3,(H,13,15)
InChIKeyXSBAEPWFWVAVPG-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
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-methylpentan-2-yl)-2-methylpent-2-enamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide (CID 61245294) is N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NC(CO)CC(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide?
The InChIKey is XSBAEPWFWVAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-10(4)12(15)13-11(8-14)7-9(2)3/h6,9,11,14H,5,7-8H2,1-4H3,(H,13,15).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide is sourced from PubChem (CID 61245294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).