CID 58819112

C7H11NO2 — CID 58819112

IUPAC—
SMILES[CH]CON(C)C(=O)C(=C)C
InChIInChI=1S/C7H11NO2/c1-5-10-8(4)7(9)6(2)3/h1H,2,5H2,3-4H3
InChIKeyWXHMBMICZALENO-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.66
Rot. Bonds3

About CID 58819112

CID 58819112 (PubChem CID 58819112) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol.

Molecular Properties

Compound NameCID 58819112
PubChem CID58819112
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name—
SMILES[CH]CON(C)C(=O)C(=C)C
InChIInChI=1S/C7H11NO2/c1-5-10-8(4)7(9)6(2)3/h1H,2,5H2,3-4H3
InChIKeyWXHMBMICZALENO-UHFFFAOYSA-N
XLogP0.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;N,N,2-trimethylprop-2-enamide
CID 162327856
amino [methyl(2-methylprop-2-enoyl)amino] sulfate
CID 174612869
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 171556430
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 58288610
N',N',2-trimethyl-N-prop-1-en-2-ylprop-2-enehydrazide
CID 15525104
N,N-diacetyl-2-methylprop-2-enamide
CID 22336365
N-(2-hydroxypropyl)-2-methylprop-2-enehydrazide
CID 174628871
N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87313202
N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 19038709
N-[3-[diethoxy(methyl)silyl]propyl]-N,2-dimethylprop-2-enamide
CID 139724660

Frequently Asked Questions

What is the IUPAC name of CID 58819112?
The IUPAC name of CID 58819112 (CID 58819112) is not available.
What is the SMILES notation for CID 58819112?
The canonical SMILES for CID 58819112 is [CH]CON(C)C(=O)C(=C)C.
What is the InChIKey of CID 58819112?
The InChIKey is WXHMBMICZALENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-10-8(4)7(9)6(2)3/h1H,2,5H2,3-4H3.
What are the key properties of CID 58819112?
CID 58819112 has a molecular weight of 141.17 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58819112 is sourced from PubChem (CID 58819112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).