methyl N-(naphthalen-2-ylmethylideneamino)carbamate

C13H12N2O2 — CID 909426

IUPACmethyl N-(naphthalen-2-ylmethylideneamino)carbamate
SMILESCOC(=O)NN=Cc1ccc2ccccc2c1
InChIInChI=1S/C13H12N2O2/c1-17-13(16)15-14-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-9H,1H3,(H,15,16)
InChIKeyXNSRXQWXDCDDEZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.53
Rot. Bonds2

About methyl N-(naphthalen-2-ylmethylideneamino)carbamate

methyl N-(naphthalen-2-ylmethylideneamino)carbamate (PubChem CID 909426) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl N-(naphthalen-2-ylmethylideneamino)carbamate.

Molecular Properties

Compound Namemethyl N-(naphthalen-2-ylmethylideneamino)carbamate
PubChem CID909426
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl N-(naphthalen-2-ylmethylideneamino)carbamate
SMILESCOC(=O)NN=Cc1ccc2ccccc2c1
InChIInChI=1S/C13H12N2O2/c1-17-13(16)15-14-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-9H,1H3,(H,15,16)
InChIKeyXNSRXQWXDCDDEZ-UHFFFAOYSA-N
XLogP2.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
2-hydroxy-2-methyl-N-[(E)-naphthalen-2-ylmethylideneamino]propanamide
CID 25237720
N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679
3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 6910456
methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate
CID 7601967
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 6048140
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
CID 6174064

Frequently Asked Questions

What is the IUPAC name of methyl N-(naphthalen-2-ylmethylideneamino)carbamate?
The IUPAC name of methyl N-(naphthalen-2-ylmethylideneamino)carbamate (CID 909426) is methyl N-(naphthalen-2-ylmethylideneamino)carbamate.
What is the SMILES notation for methyl N-(naphthalen-2-ylmethylideneamino)carbamate?
The canonical SMILES for methyl N-(naphthalen-2-ylmethylideneamino)carbamate is COC(=O)NN=Cc1ccc2ccccc2c1.
What is the InChIKey of methyl N-(naphthalen-2-ylmethylideneamino)carbamate?
The InChIKey is XNSRXQWXDCDDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-13(16)15-14-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-9H,1H3,(H,15,16).
What are the key properties of methyl N-(naphthalen-2-ylmethylideneamino)carbamate?
methyl N-(naphthalen-2-ylmethylideneamino)carbamate has a molecular weight of 228.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(naphthalen-2-ylmethylideneamino)carbamate is sourced from PubChem (CID 909426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).