N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide

C9H17NO2 — CID 140907600

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CO)C(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)8(5-11)10-9(12)7(3)4/h6,8,11H,3,5H2,1-2,4H3,(H,10,12)
InChIKeyMPYUKYZFEUZMPQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.70
Rot. Bonds4

About N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide (PubChem CID 140907600) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide
PubChem CID140907600
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CO)C(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)8(5-11)10-9(12)7(3)4/h6,8,11H,3,5H2,1-2,4H3,(H,10,12)
InChIKeyMPYUKYZFEUZMPQ-UHFFFAOYSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.70
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-3-methylbutan-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide (CID 140907600) is N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide?
The InChIKey is MPYUKYZFEUZMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8(5-11)10-9(12)7(3)4/h6,8,11H,3,5H2,1-2,4H3,(H,10,12).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 140907600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).