7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol

C9H11NO — CID 143575387

IUPAC7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol
SMILESOC1=CC2=CC(C=C1)NCC2
InChIInChI=1S/C9H11NO/c11-9-2-1-8-5-7(6-9)3-4-10-8/h1-2,5-6,8,10-11H,3-4H2
InChIKeyLELKCGNTJQNFRL-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.29
Rot. Bonds

About 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol

7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol (PubChem CID 143575387) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol.

Molecular Properties

Compound Name7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol
PubChem CID143575387
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol
SMILESOC1=CC2=CC(C=C1)NCC2
InChIInChI=1S/C9H11NO/c11-9-2-1-8-5-7(6-9)3-4-10-8/h1-2,5-6,8,10-11H,3-4H2
InChIKeyLELKCGNTJQNFRL-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(Methylamino)cyclohexa-1,5-dien-1-ol
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(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
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CID 138482575
2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridin-9-ol
CID 141122290
2,7-dihydro-1H-cyclohepta[b]pyridin-9-ol
CID 141339996
5-[2-(Methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
CID 142123446
(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol
CID 142924430
(3E,5Z)-4-[(1S)-1-(methylamino)ethyl]octa-1,3,5-trien-2-ol
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2,3-dihydro-1H-cyclopenta[c]pyridin-7-ol
CID 145653961

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol?
The IUPAC name of 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol (CID 143575387) is 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol.
What is the SMILES notation for 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol?
The canonical SMILES for 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol is OC1=CC2=CC(C=C1)NCC2.
What is the InChIKey of 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol?
The InChIKey is LELKCGNTJQNFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-2-1-8-5-7(6-9)3-4-10-8/h1-2,5-6,8,10-11H,3-4H2.
What are the key properties of 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol?
7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol has a molecular weight of 149.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.3.1]deca-1(10),2,4-trien-3-ol is sourced from PubChem (CID 143575387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).