methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate

C14H10N2O3 — CID 2489180

IUPACmethyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate
SMILESCOC(=O)NN=C1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C14H10N2O3/c1-19-14(18)16-15-12-9-6-2-4-8-5-3-7-10(11(8)9)13(12)17/h2-7H,1H3,(H,16,18)
InChIKeyYUVBNLIVLBWLNT-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.10
Rot. Bonds1

About methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate

methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate (PubChem CID 2489180) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate
PubChem CID2489180
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Namemethyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate
SMILESCOC(=O)NN=C1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C14H10N2O3/c1-19-14(18)16-15-12-9-6-2-4-8-5-3-7-10(11(8)9)13(12)17/h2-7H,1H3,(H,16,18)
InChIKeyYUVBNLIVLBWLNT-UHFFFAOYSA-N
XLogP2.10
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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 methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate?
The IUPAC name of methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate (CID 2489180) is methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate.
What is the SMILES notation for methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate?
The canonical SMILES for methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate is COC(=O)NN=C1C(=O)c2cccc3cccc1c23.
What is the InChIKey of methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate?
The InChIKey is YUVBNLIVLBWLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-19-14(18)16-15-12-9-6-2-4-8-5-3-7-10(11(8)9)13(12)17/h2-7H,1H3,(H,16,18).
What are the key properties of methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate?
methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate has a molecular weight of 254.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate is sourced from PubChem (CID 2489180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).