(4S)-bicyclo[2.2.1]hept-2-ene

C7H10 — CID 21136366

IUPAC(4S)-bicyclo[2.2.1]hept-2-ene
SMILESC1=C[C@H]2CCC1C2
InChIInChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2/t6-,7?/m0/s1
InChIKeyJFNLZVQOOSMTJK-PKPIPKONSA-N
MW94.16 g/mol
LogP1.97
Rot. Bonds

About (4S)-bicyclo[2.2.1]hept-2-ene

(4S)-bicyclo[2.2.1]hept-2-ene (PubChem CID 21136366) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (4S)-bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(4S)-bicyclo[2.2.1]hept-2-ene
PubChem CID21136366
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(4S)-bicyclo[2.2.1]hept-2-ene
SMILESC1=C[C@H]2CCC1C2
InChIInChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2/t6-,7?/m0/s1
InChIKeyJFNLZVQOOSMTJK-PKPIPKONSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Ethylidenenorbornene
CID 27756
5-Vinyl-2-norbornene
CID 18273
2-Norbornene
CID 10352
Norbornadiene
CID 8473
5-Methylenenorbornene
CID 260380
Norbornene
CID 638051
2-Norbornene, 5-ethylidene-
CID 5365543
5-Ethylidene-2-norbornene, (Z)-
CID 5463081
Bicyclo[2.2.1]hept-2-ene, polymer with ethene
CID 168460
Bicyclo[2.2.1]hept-2-ene, 5-methyl-
CID 101870
Bicyclo(3.1.0)hex-2-ene
CID 136501
Bicyclo(3.2.1)oct-2-ene
CID 136649

Frequently Asked Questions

What is the IUPAC name of (4S)-bicyclo[2.2.1]hept-2-ene?
The IUPAC name of (4S)-bicyclo[2.2.1]hept-2-ene (CID 21136366) is (4S)-bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (4S)-bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (4S)-bicyclo[2.2.1]hept-2-ene is C1=C[C@H]2CCC1C2.
What is the InChIKey of (4S)-bicyclo[2.2.1]hept-2-ene?
The InChIKey is JFNLZVQOOSMTJK-PKPIPKONSA-N. The full InChI is InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2/t6-,7?/m0/s1.
What are the key properties of (4S)-bicyclo[2.2.1]hept-2-ene?
(4S)-bicyclo[2.2.1]hept-2-ene has a molecular weight of 94.16 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 21136366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).