ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine

C12H19N — CID 145121568

IUPACethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine
SMILESC1=CC2=C(C=CC1)NCCC2.CC
InChIInChI=1S/C10H13N.C2H6/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-2/h2-3,5,7,11H,1,4,6,8H2;1-2H3
InChIKeyGRXZBJSTKNZZOX-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.17
Rot. Bonds

About ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine

ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine (PubChem CID 145121568) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine.

Molecular Properties

Compound Nameethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine
PubChem CID145121568
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine
SMILESC1=CC2=C(C=CC1)NCCC2.CC
InChIInChI=1S/C10H13N.C2H6/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-2/h2-3,5,7,11H,1,4,6,8H2;1-2H3
InChIKeyGRXZBJSTKNZZOX-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine?
The IUPAC name of ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine (CID 145121568) is ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine.
What is the SMILES notation for ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine?
The canonical SMILES for ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine is C1=CC2=C(C=CC1)NCCC2.CC.
What is the InChIKey of ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine?
The InChIKey is GRXZBJSTKNZZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-2/h2-3,5,7,11H,1,4,6,8H2;1-2H3.
What are the key properties of ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine?
ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine has a molecular weight of 177.29 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine is sourced from PubChem (CID 145121568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).