N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate

C11H10NO- — CID 59861932

IUPACN-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate
SMILES[O-]/C(=N\C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H11NO/c13-11(9-5-1-2-6-9)12-10-7-3-4-8-10/h1-5,7H,6,8H2,(H,12,13)/p-1
InChIKeyBFGIRFLOTYLRRX-UHFFFAOYSA-M
MW172.21 g/mol
LogP1.48
Rot. Bonds2

About N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate

N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate (PubChem CID 59861932) has the molecular formula C11H10NO- and a molecular weight of 172.21 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate
PubChem CID59861932
Molecular FormulaC11H10NO-
Molecular Weight172.21 g/mol
Exact Mass172.08
IUPAC NameN-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate
SMILES[O-]/C(=N\C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H11NO/c13-11(9-5-1-2-6-9)12-10-7-3-4-8-10/h1-5,7H,6,8H2,(H,12,13)/p-1
InChIKeyBFGIRFLOTYLRRX-UHFFFAOYSA-M
XLogP1.48
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate
CID 59861888
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
CID 12861283
N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine
CID 15244462
4-(cyclopenta-1,3-dien-1-yldiazenyl)phenol
CID 136913192
N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride
CID 101246102
N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide
CID 22887606
di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium
CID 173300628
(4-arsorosophenyl)-cyclopenta-1,3-dien-1-yldiazene
CID 158514528
2,3-di(cyclopenta-1,3-dien-1-yl)but-2-enoic acid
CID 54527252
1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone
CID 15514432
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate (CID 59861932) is N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate is [O-]/C(=N\C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate?
The InChIKey is BFGIRFLOTYLRRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO/c13-11(9-5-1-2-6-9)12-10-7-3-4-8-10/h1-5,7H,6,8H2,(H,12,13)/p-1.
What are the key properties of N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate?
N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate has a molecular weight of 172.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboximidate is sourced from PubChem (CID 59861932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).