CID 58312499

C5H10NO — CID 58312499

IUPAC—
SMILESCC(=O)C(C)(C)[NH]
InChIInChI=1S/C5H10NO/c1-4(7)5(2,3)6/h6H,1-3H3
InChIKeySLWGZNWRFRAJIW-UHFFFAOYSA-N
MW100.14 g/mol
LogP0.64
Rot. Bonds1

About CID 58312499

CID 58312499 (PubChem CID 58312499) has the molecular formula C5H10NO and a molecular weight of 100.14 g/mol.

Molecular Properties

Compound NameCID 58312499
PubChem CID58312499
Molecular FormulaC5H10NO
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Name—
SMILESCC(=O)C(C)(C)[NH]
InChIInChI=1S/C5H10NO/c1-4(7)5(2,3)6/h6H,1-3H3
InChIKeySLWGZNWRFRAJIW-UHFFFAOYSA-N
XLogP0.64
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-methylbutan-2-one
CID 4913006
3,4-dihydroxy-3,4-dimethylhexane-2,5-dione
CID 538401
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid
CID 162191705
2,2-dimethylpropyl acetate
CID 13552
tert-butyl acetate
CID 159704758
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid;methane
CID 159044795
CID 158035989
CID 158035989
4-imino-3,3-dimethylpentan-2-one
CID 118001965
2-methylpropan-2-ol;propan-2-one;hydrate
CID 86602953
bis(3-acetyl-3,4,4-trimethylhexane-2,5-dione);hydrate
CID 175185718
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269

Frequently Asked Questions

What is the IUPAC name of CID 58312499?
The IUPAC name of CID 58312499 (CID 58312499) is not available.
What is the SMILES notation for CID 58312499?
The canonical SMILES for CID 58312499 is CC(=O)C(C)(C)[NH].
What is the InChIKey of CID 58312499?
The InChIKey is SLWGZNWRFRAJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO/c1-4(7)5(2,3)6/h6H,1-3H3.
What are the key properties of CID 58312499?
CID 58312499 has a molecular weight of 100.14 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58312499 is sourced from PubChem (CID 58312499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).