2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile

C18H15NO — CID 163470671

IUPAC2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile
SMILESN#CC1=C(OC2=CC/C(=C3/C=CC=CC3)C=C2)CC=C1
InChIInChI=1S/C18H15NO/c19-13-16-7-4-8-18(16)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-5,7,9,11-12H,6,8,10H2/b15-14-
InChIKeyWZJYBUDULJYNPB-PFONDFGASA-N
MW261.32 g/mol
LogP4.40
Rot. Bonds2

About 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile

2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile (PubChem CID 163470671) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile.

Molecular Properties

Compound Name2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile
PubChem CID163470671
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile
SMILESN#CC1=C(OC2=CC/C(=C3/C=CC=CC3)C=C2)CC=C1
InChIInChI=1S/C18H15NO/c19-13-16-7-4-8-18(16)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-5,7,9,11-12H,6,8,10H2/b15-14-
InChIKeyWZJYBUDULJYNPB-PFONDFGASA-N
XLogP4.40
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane
CID 10936596
2-methylcyclohexa-1,5-diene-1-carbonitrile
CID 14111350
4H-cyclohepta[b]thiophene-3-carbonitrile
CID 174626676
2-ethoxy-4-methylcyclohexa-1,5-diene-1-carbonitrile
CID 170089392
4-methylidene-1H-azulene
CID 144559189
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
cyclohexa-2,4-dien-1-one;octahydrate
CID 175148606
2-(2H-pyran-4-yloxy)benzonitrile
CID 141355422
4-amino-2,4-dimethoxycyclohexa-1,5-diene-1-carbonitrile
CID 139630165
4-methylcyclohepta-1,3,5-triene-1-carbonitrile
CID 18343928
2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene
CID 175728992
1H-cyclopenta[8]annulene;2H-triazepine
CID 174715149

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile?
The IUPAC name of 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile (CID 163470671) is 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile.
What is the SMILES notation for 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile?
The canonical SMILES for 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile is N#CC1=C(OC2=CC/C(=C3/C=CC=CC3)C=C2)CC=C1.
What is the InChIKey of 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile?
The InChIKey is WZJYBUDULJYNPB-PFONDFGASA-N. The full InChI is InChI=1S/C18H15NO/c19-13-16-7-4-8-18(16)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-5,7,9,11-12H,6,8,10H2/b15-14-.
What are the key properties of 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile?
2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-cyclohexa-2,4-dien-1-ylidenecyclohexa-1,5-dien-1-yl]oxycyclopenta-1,4-diene-1-carbonitrile is sourced from PubChem (CID 163470671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).