trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde

C7H10O — CID 54122002

IUPACtrans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C7H10O/c8-4-6-3-7(6)5-1-2-5/h4-7H,1-3H2/t6-,7-/m0/s1
InChIKeyNOJDZTJKRLSDSN-BQBZGAKWSA-N
MW110.16 g/mol
LogP1.23
Rot. Bonds2

About trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde

trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde (PubChem CID 54122002) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde
PubChem CID54122002
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Nametrans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C7H10O/c8-4-6-3-7(6)5-1-2-5/h4-7H,1-3H2/t6-,7-/m0/s1
InChIKeyNOJDZTJKRLSDSN-BQBZGAKWSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
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 trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde (CID 54122002) is trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde is O=C[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde?
The InChIKey is NOJDZTJKRLSDSN-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H10O/c8-4-6-3-7(6)5-1-2-5/h4-7H,1-3H2/t6-,7-/m0/s1.
What are the key properties of trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde?
trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde has a molecular weight of 110.16 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 trans-(1R,2S)-2-cyclopropylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 54122002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).