(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde

C7H10O — CID 124571824

IUPAC(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde
SMILESO=CC1C[C@@H]2C[C@H]2C1
InChIInChI=1S/C7H10O/c8-4-5-1-6-3-7(6)2-5/h4-7H,1-3H2/t6-,7-/m1/s1
InChIKeyFJCKHVMOZVPJID-RNFRBKRXSA-N
MW110.16 g/mol
LogP1.23
Rot. Bonds1

About (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde

(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde (PubChem CID 124571824) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde.

Molecular Properties

Compound Name(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde
PubChem CID124571824
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde
SMILESO=CC1C[C@@H]2C[C@H]2C1
InChIInChI=1S/C7H10O/c8-4-5-1-6-3-7(6)2-5/h4-7H,1-3H2/t6-,7-/m1/s1
InChIKeyFJCKHVMOZVPJID-RNFRBKRXSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

(1S,5R)-6-methylbicyclo[3.1.1]heptane-3-carbaldehyde
CID 88935864
(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carbaldehyde
CID 155717701
3,4-difluorocyclopentane-1-carbaldehyde
CID 140541377
4-cyclopropylcyclohexane-1-carbaldehyde
CID 149055202
3-(trifluoromethyl)cyclobutane-1-carbaldehyde
CID 131335536
6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde
CID 23532969
3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]thiepine-7-carbaldehyde
CID 89317789
cyclohexane-1,3-dicarbaldehyde
CID 23496622
bicyclo[2.2.1]heptane-2,3-dicarbaldehyde
CID 13411221
1,2,6-trimethylpiperidine-4-carbaldehyde
CID 83905192
6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 13039671
3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane
CID 154516435

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde?
The IUPAC name of (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde (CID 124571824) is (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde.
What is the SMILES notation for (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde?
The canonical SMILES for (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde is O=CC1C[C@@H]2C[C@H]2C1.
What is the InChIKey of (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde?
The InChIKey is FJCKHVMOZVPJID-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H10O/c8-4-5-1-6-3-7(6)2-5/h4-7H,1-3H2/t6-,7-/m1/s1.
What are the key properties of (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde?
(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde has a molecular weight of 110.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde is sourced from PubChem (CID 124571824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).