6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene

C16H18N2 — CID 170035408

IUPAC6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene
SMILESCCC1=C(c2nn3c4c2C2CCCC2C43)CC=C1
InChIInChI=1S/C16H18N2/c1-2-9-5-3-6-10(9)14-13-11-7-4-8-12(11)15-16(13)18(15)17-14/h3,5,11-12,15H,2,4,6-8H2,1H3
InChIKeyLFWVKGCMYZCXRE-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.81
Rot. Bonds2

About 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene

6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene (PubChem CID 170035408) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene.

Molecular Properties

Compound Name6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene
PubChem CID170035408
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene
SMILESCCC1=C(c2nn3c4c2C2CCCC2C43)CC=C1
InChIInChI=1S/C16H18N2/c1-2-9-5-3-6-10(9)14-13-11-7-4-8-12(11)15-16(13)18(15)17-14/h3,5,11-12,15H,2,4,6-8H2,1H3
InChIKeyLFWVKGCMYZCXRE-UHFFFAOYSA-N
XLogP3.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene?
The IUPAC name of 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene (CID 170035408) is 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene.
What is the SMILES notation for 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene?
The canonical SMILES for 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene is CCC1=C(c2nn3c4c2C2CCCC2C43)CC=C1.
What is the InChIKey of 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene?
The InChIKey is LFWVKGCMYZCXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-9-5-3-6-10(9)14-13-11-7-4-8-12(11)15-16(13)18(15)17-14/h3,5,11-12,15H,2,4,6-8H2,1H3.
What are the key properties of 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene?
6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene has a molecular weight of 238.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylcyclopenta-1,3-dien-1-yl)-4,5-diazatetracyclo[6.3.0.02,4.03,7]undeca-3(7),5-diene is sourced from PubChem (CID 170035408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).