(cyclopentylideneamino) benzenecarboximidate

C12H14N2O — CID 6397591

IUPAC(cyclopentylideneamino) benzenecarboximidate
SMILES[H]/N=C(\ON=C1CCCC1)c1ccccc1
InChIInChI=1S/C12H14N2O/c13-12(10-6-2-1-3-7-10)15-14-11-8-4-5-9-11/h1-3,6-7,13H,4-5,8-9H2/b13-12-
InChIKeyGUJSPCTVXYDXJE-SEYXRHQNSA-N
MW202.26 g/mol
LogP2.96
Rot. Bonds2

About (cyclopentylideneamino) benzenecarboximidate

(cyclopentylideneamino) benzenecarboximidate (PubChem CID 6397591) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (cyclopentylideneamino) benzenecarboximidate.

Molecular Properties

Compound Name(cyclopentylideneamino) benzenecarboximidate
PubChem CID6397591
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(cyclopentylideneamino) benzenecarboximidate
SMILES[H]/N=C(\ON=C1CCCC1)c1ccccc1
InChIInChI=1S/C12H14N2O/c13-12(10-6-2-1-3-7-10)15-14-11-8-4-5-9-11/h1-3,6-7,13H,4-5,8-9H2/b13-12-
InChIKeyGUJSPCTVXYDXJE-SEYXRHQNSA-N
XLogP2.96
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(benzenecarboximidoyl) oxalate
CID 174616072
ethanimidoyl benzenecarboximidate
CID 130459009
(cyclohexylideneamino) 3-hydroxybenzoate
CID 71600482
2-methoxyethyl benzenecarboximidate
CID 134844394
2,2,2-trifluoroethyl benzenecarboximidate
CID 102041341
benzenecarboximidamide;sulfane
CID 172701796
(7Z,8E)-7,8-bis(1-phenylethylidene)bicyclo[4.2.0]oct-1(6)-ene
CID 177383575
[N'-(3-methyl-1-oxobutan-2-yl)carbamimidoyl] benzenecarboximidate
CID 143524552
phenylcarbamoyl benzenecarboximidate
CID 142010555
benzenecarboximidamide;hydron;chloride
CID 66824376
N-(cyclododecylideneamino)benzamide
CID 4147051
(cyclododecylideneamino) 4-tert-butylbenzoate
CID 5211704

Frequently Asked Questions

What is the IUPAC name of (cyclopentylideneamino) benzenecarboximidate?
The IUPAC name of (cyclopentylideneamino) benzenecarboximidate (CID 6397591) is (cyclopentylideneamino) benzenecarboximidate.
What is the SMILES notation for (cyclopentylideneamino) benzenecarboximidate?
The canonical SMILES for (cyclopentylideneamino) benzenecarboximidate is [H]/N=C(\ON=C1CCCC1)c1ccccc1.
What is the InChIKey of (cyclopentylideneamino) benzenecarboximidate?
The InChIKey is GUJSPCTVXYDXJE-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O/c13-12(10-6-2-1-3-7-10)15-14-11-8-4-5-9-11/h1-3,6-7,13H,4-5,8-9H2/b13-12-.
What are the key properties of (cyclopentylideneamino) benzenecarboximidate?
(cyclopentylideneamino) benzenecarboximidate has a molecular weight of 202.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopentylideneamino) benzenecarboximidate is sourced from PubChem (CID 6397591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).