2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane

C10H14ClN — CID 143588146

IUPAC2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane
SMILESCC.CCC1=CC(Cl)=NC=C=C1
InChIInChI=1S/C8H8ClN.C2H6/c1-2-7-4-3-5-10-8(9)6-7;1-2/h4-6H,2H2,1H3;1-2H3
InChIKeyUYAKAQDEUQBWQD-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.67
Rot. Bonds1

About 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane

2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane (PubChem CID 143588146) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane.

Molecular Properties

Compound Name2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane
PubChem CID143588146
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane
SMILESCC.CCC1=CC(Cl)=NC=C=C1
InChIInChI=1S/C8H8ClN.C2H6/c1-2-7-4-3-5-10-8(9)6-7;1-2/h4-6H,2H2,1H3;1-2H3
InChIKeyUYAKAQDEUQBWQD-UHFFFAOYSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dichloro-5-methyl-1-azacyclohepta-1,3,5,6-tetraene
CID 89343835
2-Chloro-3,4-di(ethylidene)-5-methylpyridine
CID 91064474
3-Ethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 91446167
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
CID 118086288
2-chloro-6-propyl-3H-azepine
CID 123532702
6-tert-butyl-2-chloro-3H-azepine
CID 123619472
2-chloro-6-ethyl-3H-azepine
CID 123959817
3,4-Dimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 130193686
3,5-Dimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 130347104
5-chloro-3-ethyl-7-methyl-4H-azepine
CID 142048476
7-chloro-5-methyl-4H-azepine
CID 142266453
6-chloro-3-ethyl-4H-azepine
CID 143013209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane?
The IUPAC name of 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane (CID 143588146) is 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane.
What is the SMILES notation for 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane?
The canonical SMILES for 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane is CC.CCC1=CC(Cl)=NC=C=C1.
What is the InChIKey of 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane?
The InChIKey is UYAKAQDEUQBWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN.C2H6/c1-2-7-4-3-5-10-8(9)6-7;1-2/h4-6H,2H2,1H3;1-2H3.
What are the key properties of 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane?
2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane has a molecular weight of 183.68 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-1-azacyclohepta-1,3,5,6-tetraene;ethane is sourced from PubChem (CID 143588146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).