N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide

C18H18N2O3 — CID 171983291

IUPACN-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESC/C(=N/NC(=O)C1CC12CCC2)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N2O3/c1-10(19-20-17(23)13-9-18(13)7-4-8-18)14-15(21)11-5-2-3-6-12(11)16(14)22/h2-3,5-6,13-14H,4,7-9H2,1H3,(H,20,23)/b19-10-
InChIKeyFPZHHPCCYOLDGB-GRSHGNNSSA-N
MW310.35 g/mol
LogP2.36
Rot. Bonds3

About N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide

N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide (PubChem CID 171983291) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
PubChem CID171983291
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESC/C(=N/NC(=O)C1CC12CCC2)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N2O3/c1-10(19-20-17(23)13-9-18(13)7-4-8-18)14-15(21)11-5-2-3-6-12(11)16(14)22/h2-3,5-6,13-14H,4,7-9H2,1H3,(H,20,23)/b19-10-
InChIKeyFPZHHPCCYOLDGB-GRSHGNNSSA-N
XLogP2.36
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide (CID 171983291) is N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide is C/C(=N/NC(=O)C1CC12CCC2)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
The InChIKey is FPZHHPCCYOLDGB-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10(19-20-17(23)13-9-18(13)7-4-8-18)14-15(21)11-5-2-3-6-12(11)16(14)22/h2-3,5-6,13-14H,4,7-9H2,1H3,(H,20,23)/b19-10-.
What are the key properties of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 171983291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).