[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate

C13H16N2O3 — CID 5456975

IUPAC[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate
SMILESCOc1ccc2c(c1)CC/C2=N/OC(=O)N(C)C
InChIInChI=1S/C13H16N2O3/c1-15(2)13(16)18-14-12-7-4-9-8-10(17-3)5-6-11(9)12/h5-6,8H,4,7H2,1-3H3/b14-12-
InChIKeyAEMGCEOYGMLJBQ-OWBHPGMISA-N
MW248.28 g/mol
LogP2.04
Rot. Bonds2

About [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate

[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate (PubChem CID 5456975) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate
PubChem CID5456975
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate
SMILESCOc1ccc2c(c1)CC/C2=N/OC(=O)N(C)C
InChIInChI=1S/C13H16N2O3/c1-15(2)13(16)18-14-12-7-4-9-8-10(17-3)5-6-11(9)12/h5-6,8H,4,7H2,1-3H3/b14-12-
InChIKeyAEMGCEOYGMLJBQ-OWBHPGMISA-N
XLogP2.04
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,7-Dimethoxy-9H-fluoren-9-one oxime
CID 620461
(NE)-N-[2-[3-(dimethylamino)propoxy]fluoren-9-ylidene]hydroxylamine
CID 44322799
2-[(9E)-9-methoxyiminofluoren-2-yl]oxy-N,N-dimethylethanamine
CID 44322424
(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58102870
[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino] methanesulfonate
CID 89350921
(NE)-N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 124108103
N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 140873563
(2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine
CID 175907524
(2E)-2-[(4-fluorophenyl)methylidene]-N,6-dimethoxy-3H-inden-1-imine
CID 175907539
(2Z)-5-(difluoromethoxy)-2-(2-fluoroprop-2-enylidene)-N-methyl-3H-inden-1-imine
CID 177207256
N-(5-Methoxy-2,3-dihydro-1H-inden-1-ylidene)hydroxylamine
CID 5382665
Indan-1-one, 5-methoxy-, o-acetyloxime
CID 9601524

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate?
The IUPAC name of [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate (CID 5456975) is [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate.
What is the SMILES notation for [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate?
The canonical SMILES for [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate is COc1ccc2c(c1)CC/C2=N/OC(=O)N(C)C.
What is the InChIKey of [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate?
The InChIKey is AEMGCEOYGMLJBQ-OWBHPGMISA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(2)13(16)18-14-12-7-4-9-8-10(17-3)5-6-11(9)12/h5-6,8H,4,7H2,1-3H3/b14-12-.
What are the key properties of [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate?
[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate has a molecular weight of 248.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)amino] N,N-dimethylcarbamate is sourced from PubChem (CID 5456975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).