3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine

C10H13N — CID 91269090

IUPAC3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine
SMILESC1=CC2=NCCCC2=CCC1
InChIInChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h3,5,7H,1-2,4,6,8H2
InChIKeyRORWXDIKAIQKLC-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.50
Rot. Bonds

About 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine

3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine (PubChem CID 91269090) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine
PubChem CID91269090
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine
SMILESC1=CC2=NCCCC2=CCC1
InChIInChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h3,5,7H,1-2,4,6,8H2
InChIKeyRORWXDIKAIQKLC-UHFFFAOYSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Nigrifactin
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2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
Koreenceine A
CID 146683591
Azabicyclohexene
CID 67825525
Azabicycloheptene
CID 68526712
2,3,5,6-Tetrahydrocyclohepta[b]pyrrole
CID 91212488
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
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Cycloheptazoline
CID 129710643

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine?
The IUPAC name of 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine (CID 91269090) is 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine.
What is the SMILES notation for 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine?
The canonical SMILES for 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine is C1=CC2=NCCCC2=CCC1.
What is the InChIKey of 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine?
The InChIKey is RORWXDIKAIQKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h3,5,7H,1-2,4,6,8H2.
What are the key properties of 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine?
3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine has a molecular weight of 147.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine is sourced from PubChem (CID 91269090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).