(1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde

C10H14O — CID 50897595

IUPAC(1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde
SMILESC=C[C@@H]1[C@@H]2CC[C@H](C2)[C@H]1C=O
InChIInChI=1S/C10H14O/c1-2-9-7-3-4-8(5-7)10(9)6-11/h2,6-10H,1,3-5H2/t7-,8-,9-,10-/m1/s1
InChIKeyJCKKBRXWDBWAEP-ZYUZMQFOSA-N
MW150.22 g/mol
LogP2.03
Rot. Bonds2

About (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde

(1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde (PubChem CID 50897595) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde
PubChem CID50897595
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde
SMILESC=C[C@@H]1[C@@H]2CC[C@H](C2)[C@H]1C=O
InChIInChI=1S/C10H14O/c1-2-9-7-3-4-8(5-7)10(9)6-11/h2,6-10H,1,3-5H2/t7-,8-,9-,10-/m1/s1
InChIKeyJCKKBRXWDBWAEP-ZYUZMQFOSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.1]heptane-2,3-dicarbaldehyde
CID 13411221
(1S,2R,3R,4S)-3-methylbicyclo[2.2.1]heptane-2-carbaldehyde
CID 131122970
bicyclo[2.2.1]heptane-7-carbaldehyde
CID 84647822
3-ethenylbicyclo[4.1.0]heptane
CID 11018855
2-ethenyl-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139847576
4-ethenylcyclohexane-1-carbaldehyde
CID 15509286
tert-butyl N-[(1S,2R,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 178199914
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
ethyl N-[(1S,2S,3S,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 91390552
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 23543652
4-cyclopropylcyclohexane-1-carbaldehyde
CID 149055202

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde?
The IUPAC name of (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde (CID 50897595) is (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde.
What is the SMILES notation for (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde?
The canonical SMILES for (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde is C=C[C@@H]1[C@@H]2CC[C@H](C2)[C@H]1C=O.
What is the InChIKey of (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde?
The InChIKey is JCKKBRXWDBWAEP-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H14O/c1-2-9-7-3-4-8(5-7)10(9)6-11/h2,6-10H,1,3-5H2/t7-,8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde?
(1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde is sourced from PubChem (CID 50897595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).