1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol

C10H14O — CID 130937613

IUPAC1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol
SMILESC=CC(O)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H14O/c1-2-10(11)9-6-7-3-4-8(9)5-7/h2-4,7-11H,1,5-6H2/t7-,8+,9-,10?/m0/s1
InChIKeyTWEMUDJSTMUNLY-GFMAATOTSA-N
MW150.22 g/mol
LogP1.75
Rot. Bonds2

About 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol

1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol (PubChem CID 130937613) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol
PubChem CID130937613
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol
SMILESC=CC(O)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H14O/c1-2-10(11)9-6-7-3-4-8(9)5-7/h2-4,7-11H,1,5-6H2/t7-,8+,9-,10?/m0/s1
InChIKeyTWEMUDJSTMUNLY-GFMAATOTSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol with MolForge

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Related Compounds

5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene
CID 22561154
5-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene
CID 22561157
5-(difluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 22023885
5-(2-bicyclo[2.2.1]hept-5-enyl)hept-1-en-3-one
CID 147676790
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol
CID 59039372
(2S)-2-amino-2-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 124525084
(1R,4S,5S)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6427482
(5R)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6428575
(2S,3R)-2-amino-3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxy-2-(hydroxymethyl)propanoic acid
CID 142518829
(2R,3S)-2-amino-3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxy-2-(sulfanylmethyl)propanoic acid
CID 153493874
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
CID 114615642
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol?
The IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol (CID 130937613) is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol?
The canonical SMILES for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol is C=CC(O)[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol?
The InChIKey is TWEMUDJSTMUNLY-GFMAATOTSA-N. The full InChI is InChI=1S/C10H14O/c1-2-10(11)9-6-7-3-4-8(9)5-7/h2-4,7-11H,1,5-6H2/t7-,8+,9-,10?/m0/s1.
What are the key properties of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol?
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol has a molecular weight of 150.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-ol is sourced from PubChem (CID 130937613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).