(1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol

C10H17NO — CID 130722004

IUPAC(1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
SMILESC[C@H](O)C1=CCCC2CCC1N2
InChIInChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,7-8,10-12H,2-3,5-6H2,1H3/t7-,8?,10?/m0/s1
InChIKeyKBGCKCURTWNTTN-JEUQWKINSA-N
MW167.25 g/mol
LogP1.21
Rot. Bonds1

About (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol

(1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol (PubChem CID 130722004) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
PubChem CID130722004
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
SMILESC[C@H](O)C1=CCCC2CCC1N2
InChIInChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,7-8,10-12H,2-3,5-6H2,1H3/t7-,8?,10?/m0/s1
InChIKeyKBGCKCURTWNTTN-JEUQWKINSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
The IUPAC name of (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol (CID 130722004) is (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
The canonical SMILES for (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol is C[C@H](O)C1=CCCC2CCC1N2.
What is the InChIKey of (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
The InChIKey is KBGCKCURTWNTTN-JEUQWKINSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,7-8,10-12H,2-3,5-6H2,1H3/t7-,8?,10?/m0/s1.
What are the key properties of (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol?
(1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol is sourced from PubChem (CID 130722004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).