ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one

C14H23NO — CID 143845418

IUPACethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one
SMILESCC.CC.O=C1CCC2=C(C=CC=CC2)N1
InChIInChI=1S/C10H11NO.2C2H6/c12-10-7-6-8-4-2-1-3-5-9(8)11-10;2*1-2/h1-3,5H,4,6-7H2,(H,11,12);2*1-2H3
InChIKeyWWBSJVLJMPZGDH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.72
Rot. Bonds

About ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one

ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one (PubChem CID 143845418) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one.

Molecular Properties

Compound Nameethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one
PubChem CID143845418
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one
SMILESCC.CC.O=C1CCC2=C(C=CC=CC2)N1
InChIInChI=1S/C10H11NO.2C2H6/c12-10-7-6-8-4-2-1-3-5-9(8)11-10;2*1-2/h1-3,5H,4,6-7H2,(H,11,12);2*1-2H3
InChIKeyWWBSJVLJMPZGDH-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one;toluene
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(9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one
CID 174064443
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CID 174278772
CID 157384744
CID 157384744
CID 70395227
CID 70395227
hydron;pyrrolidine-2,5-dione
CID 174652792
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CID 145404800
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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one?
The IUPAC name of ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one (CID 143845418) is ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one.
What is the SMILES notation for ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one?
The canonical SMILES for ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one is CC.CC.O=C1CCC2=C(C=CC=CC2)N1.
What is the InChIKey of ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one?
The InChIKey is WWBSJVLJMPZGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.2C2H6/c12-10-7-6-8-4-2-1-3-5-9(8)11-10;2*1-2/h1-3,5H,4,6-7H2,(H,11,12);2*1-2H3.
What are the key properties of ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one?
ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one is sourced from PubChem (CID 143845418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).