(2S)-2-cyclopropylpropanal

C6H10O — CID 59475987

IUPAC(2S)-2-cyclopropylpropanal
SMILESC[C@H](C=O)C1CC1
InChIInChI=1S/C6H10O/c1-5(4-7)6-2-3-6/h4-6H,2-3H2,1H3/t5-/m1/s1
InChIKeyXEKNSYGJEBXYGH-RXMQYKEDSA-N
MW98.14 g/mol
LogP1.23
Rot. Bonds2

About (2S)-2-cyclopropylpropanal

(2S)-2-cyclopropylpropanal (PubChem CID 59475987) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (2S)-2-cyclopropylpropanal.

Molecular Properties

Compound Name(2S)-2-cyclopropylpropanal
PubChem CID59475987
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(2S)-2-cyclopropylpropanal
SMILESC[C@H](C=O)C1CC1
InChIInChI=1S/C6H10O/c1-5(4-7)6-2-3-6/h4-6H,2-3H2,1H3/t5-/m1/s1
InChIKeyXEKNSYGJEBXYGH-RXMQYKEDSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropylpropanal?
The IUPAC name of (2S)-2-cyclopropylpropanal (CID 59475987) is (2S)-2-cyclopropylpropanal.
What is the SMILES notation for (2S)-2-cyclopropylpropanal?
The canonical SMILES for (2S)-2-cyclopropylpropanal is C[C@H](C=O)C1CC1.
What is the InChIKey of (2S)-2-cyclopropylpropanal?
The InChIKey is XEKNSYGJEBXYGH-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O/c1-5(4-7)6-2-3-6/h4-6H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of (2S)-2-cyclopropylpropanal?
(2S)-2-cyclopropylpropanal has a molecular weight of 98.14 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropylpropanal is sourced from PubChem (CID 59475987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).