N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide

C9H15NO2 — CID 21274347

IUPACN-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C(=O)CC
InChIInChI=1S/C9H15NO2/c1-5-7(11)9(3,4)10-8(12)6-2/h6H,2,5H2,1,3-4H3,(H,10,12)
InChIKeyUTLHDTLKBUJFOM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.05
Rot. Bonds4

About N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide

N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide (PubChem CID 21274347) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
PubChem CID21274347
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)C(=O)CC
InChIInChI=1S/C9H15NO2/c1-5-7(11)9(3,4)10-8(12)6-2/h6H,2,5H2,1,3-4H3,(H,10,12)
InChIKeyUTLHDTLKBUJFOM-UHFFFAOYSA-N
XLogP1.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide
CID 153102951
10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid
CID 159095160
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
2-hydroxy-7-methyl-6-oxo-7-(prop-2-enoylamino)octanoic acid
CID 158616339
N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
CID 134339729
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
CID 173206543
carbanylium;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 162072286

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide (CID 21274347) is N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)C(=O)CC.
What is the InChIKey of N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide?
The InChIKey is UTLHDTLKBUJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5-7(11)9(3,4)10-8(12)6-2/h6H,2,5H2,1,3-4H3,(H,10,12).
What are the key properties of N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide?
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide is sourced from PubChem (CID 21274347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).