(4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole

C13H16N2 — CID 123802175

IUPAC(4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole
SMILESC1=NC=C2/C(=C/C3CCCCC3)N=CC12
InChIInChI=1S/C13H16N2/c1-2-4-10(5-3-1)6-13-12-9-14-7-11(12)8-15-13/h6-11H,1-5H2/b13-6-
InChIKeyLSZXWOASWXNTJP-MLPAPPSSSA-N
MW200.29 g/mol
LogP3.12
Rot. Bonds1

About (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole

(4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole (PubChem CID 123802175) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole
PubChem CID123802175
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole
SMILESC1=NC=C2/C(=C/C3CCCCC3)N=CC12
InChIInChI=1S/C13H16N2/c1-2-4-10(5-3-1)6-13-12-9-14-7-11(12)8-15-13/h6-11H,1-5H2/b13-6-
InChIKeyLSZXWOASWXNTJP-MLPAPPSSSA-N
XLogP3.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6,7,7a-Tetrahydropyrrolo[2,3-f]indole
CID 57008412
3-Methyl-6-(3-methyl-3,4-dihydropyridin-6-yl)-4,5-dihydroazocine
CID 123985620
1-cyclohexyl-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 136155945

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole (CID 123802175) is (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole is C1=NC=C2/C(=C/C3CCCCC3)N=CC12.
What is the InChIKey of (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole?
The InChIKey is LSZXWOASWXNTJP-MLPAPPSSSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-4-10(5-3-1)6-13-12-9-14-7-11(12)8-15-13/h6-11H,1-5H2/b13-6-.
What are the key properties of (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole?
(4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole has a molecular weight of 200.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(cyclohexylmethylidene)-6aH-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 123802175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).