2-cyclopropylbutanedial

C7H10O2 — CID 141171977

IUPAC2-cyclopropylbutanedial
SMILESO=CCC(C=O)C1CC1
InChIInChI=1S/C7H10O2/c8-4-3-7(5-9)6-1-2-6/h4-7H,1-3H2
InChIKeyGFDWDIMRDBDEEH-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.80
Rot. Bonds4

About 2-cyclopropylbutanedial

2-cyclopropylbutanedial (PubChem CID 141171977) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-cyclopropylbutanedial.

Molecular Properties

Compound Name2-cyclopropylbutanedial
PubChem CID141171977
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-cyclopropylbutanedial
SMILESO=CCC(C=O)C1CC1
InChIInChI=1S/C7H10O2/c8-4-3-7(5-9)6-1-2-6/h4-7H,1-3H2
InChIKeyGFDWDIMRDBDEEH-UHFFFAOYSA-N
XLogP0.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-4-methylpentanal
CID 83826246
(2S)-2-cyclohexylbutanal
CID 88959248
3-chloro-2-cyclohexylpropanal
CID 88702401
3-bromo-2-cyclohexylpropanal
CID 174462116
2-(oxetan-3-yl)pent-4-enal
CID 129283493
3-(4-methylcyclohexyl)butanal
CID 21290463
2-[4-[(E)-prop-1-enyl]cyclohexyl]butanal
CID 101297914
4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde
CID 166932348
4-amino-2-cyclohexylbutanal
CID 134207931
2-cyclopropyl-4-phenylbutanal
CID 83829133
2-cyclopropyl-3-(furan-2-yl)propanal
CID 83826737
2-cyclopropyl-3-(4-methoxyphenyl)propanal
CID 83832511

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylbutanedial?
The IUPAC name of 2-cyclopropylbutanedial (CID 141171977) is 2-cyclopropylbutanedial.
What is the SMILES notation for 2-cyclopropylbutanedial?
The canonical SMILES for 2-cyclopropylbutanedial is O=CCC(C=O)C1CC1.
What is the InChIKey of 2-cyclopropylbutanedial?
The InChIKey is GFDWDIMRDBDEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-4-3-7(5-9)6-1-2-6/h4-7H,1-3H2.
What are the key properties of 2-cyclopropylbutanedial?
2-cyclopropylbutanedial has a molecular weight of 126.15 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylbutanedial is sourced from PubChem (CID 141171977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).