(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane

C10H16O — CID 102261355

IUPAC(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
SMILESC=CCO[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H16O/c1-2-5-11-10-7-8-3-4-9(10)6-8/h2,8-10H,1,3-7H2/t8-,9+,10+/m1/s1
InChIKeyPTLUPRWLIIRQMV-UTLUCORTSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds3

About (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane

(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane (PubChem CID 102261355) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
PubChem CID102261355
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
SMILESC=CCO[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H16O/c1-2-5-11-10-7-8-3-4-9(10)6-8/h2,8-10H,1,3-7H2/t8-,9+,10+/m1/s1
InChIKeyPTLUPRWLIIRQMV-UTLUCORTSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 154594551
CID 154594551
2-(2-methoxyethoxy)bicyclo[2.2.1]heptane
CID 12652893
2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
4-(2-bicyclo[2.2.1]heptanyloxy)butanal
CID 54143270
1-(2-bicyclo[2.2.1]heptanyloxy)propan-2-ol
CID 73302120
2-but-3-en-2-yloxybicyclo[2.2.1]heptane
CID 70152975
2-hexoxybicyclo[2.2.1]heptane
CID 56615606
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
CID 98108160
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(2-bicyclo[2.2.1]heptanyloxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 66628939
cis-(1S,2R)-1-methyl-2-prop-2-enoxycyclododecane
CID 10657598
N-(2-bicyclo[2.2.1]heptanyloxy)-N-methylmethanamine
CID 76852044
2-ethoxybicyclo[2.2.2]octane
CID 13239318

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane?
The IUPAC name of (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane (CID 102261355) is (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane?
The canonical SMILES for (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane is C=CCO[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane?
The InChIKey is PTLUPRWLIIRQMV-UTLUCORTSA-N. The full InChI is InChI=1S/C10H16O/c1-2-5-11-10-7-8-3-4-9(10)6-8/h2,8-10H,1,3-7H2/t8-,9+,10+/m1/s1.
What are the key properties of (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane?
(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane has a molecular weight of 152.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane is sourced from PubChem (CID 102261355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).