CID 11270823

C5H7O — CID 11270823

IUPAC—
SMILESC=C(C)[CH]C=O
InChIInChI=1S/C5H7O/c1-5(2)3-4-6/h3-4H,1H2,2H3
InChIKeyWQWWGHWAAXFKTA-UHFFFAOYSA-N
MW83.11 g/mol
LogP0.97
Rot. Bonds2

About CID 11270823

CID 11270823 (PubChem CID 11270823) has the molecular formula C5H7O and a molecular weight of 83.11 g/mol.

Molecular Properties

Compound NameCID 11270823
PubChem CID11270823
Molecular FormulaC5H7O
Molecular Weight83.11 g/mol
Exact Mass83.05
IUPAC Name—
SMILESC=C(C)[CH]C=O
InChIInChI=1S/C5H7O/c1-5(2)3-4-6/h3-4H,1H2,2H3
InChIKeyWQWWGHWAAXFKTA-UHFFFAOYSA-N
XLogP0.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.11
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylacrolein
CID 70203
3-Methyl-3-butenal
CID 11622328
4-Methylpent-4-enal
CID 10197635
2,2-Difluoro-3-methylbut-3-enal
CID 13526673
(E)-4-iodo-3-methylbut-3-enal
CID 12163584
3-Fluoro-2-methylidenebutanal
CID 144523897
(Z)-4-iodo-3-methylbut-3-enal
CID 15941475
4-Iodo-3-methyl-3-butenal
CID 73201600
3-Methylidenepentanal
CID 11274968
2,3-Dimethylbut-3-enal
CID 13311902
2,2,3-Trimethylbut-3-enal
CID 13760733
3-Methyl-2-methylidenebut-3-enal
CID 18769664

Frequently Asked Questions

What is the IUPAC name of CID 11270823?
The IUPAC name of CID 11270823 (CID 11270823) is not available.
What is the SMILES notation for CID 11270823?
The canonical SMILES for CID 11270823 is C=C(C)[CH]C=O.
What is the InChIKey of CID 11270823?
The InChIKey is WQWWGHWAAXFKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O/c1-5(2)3-4-6/h3-4H,1H2,2H3.
What are the key properties of CID 11270823?
CID 11270823 has a molecular weight of 83.11 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11270823 is sourced from PubChem (CID 11270823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).