2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol

C10H17NO — CID 174971505

IUPAC2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol
SMILESOCC12CCCC=C1NCCC2
InChIInChI=1S/C10H17NO/c12-8-10-5-2-1-4-9(10)11-7-3-6-10/h4,11-12H,1-3,5-8H2
InChIKeyPNKVVMYJQINGCE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.42
Rot. Bonds1

About 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol

2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol (PubChem CID 174971505) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol
PubChem CID174971505
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol
SMILESOCC12CCCC=C1NCCC2
InChIInChI=1S/C10H17NO/c12-8-10-5-2-1-4-9(10)11-7-3-6-10/h4,11-12H,1-3,5-8H2
InChIKeyPNKVVMYJQINGCE-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol?
The IUPAC name of 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol (CID 174971505) is 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol.
What is the SMILES notation for 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol?
The canonical SMILES for 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol is OCC12CCCC=C1NCCC2.
What is the InChIKey of 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol?
The InChIKey is PNKVVMYJQINGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-8-10-5-2-1-4-9(10)11-7-3-6-10/h4,11-12H,1-3,5-8H2.
What are the key properties of 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol?
2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol has a molecular weight of 167.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydro-1H-quinolin-4a-ylmethanol is sourced from PubChem (CID 174971505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).