N-(3H-naphthalen-3-ylium-2-ylidene)acetamide

C12H10NO+ — CID 100944474

IUPACN-(3H-naphthalen-3-ylium-2-ylidene)acetamide
SMILESCC(=O)/N=C1\C=c2ccccc2=C[CH+]1
InChIInChI=1S/C12H10NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3/q+1/b13-12-
InChIKeyVRXRMTFBVSEIKQ-SEYXRHQNSA-N
MW184.22 g/mol
LogP0.45
Rot. Bonds

About N-(3H-naphthalen-3-ylium-2-ylidene)acetamide

N-(3H-naphthalen-3-ylium-2-ylidene)acetamide (PubChem CID 100944474) has the molecular formula C12H10NO+ and a molecular weight of 184.22 g/mol. Its IUPAC name is N-(3H-naphthalen-3-ylium-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(3H-naphthalen-3-ylium-2-ylidene)acetamide
PubChem CID100944474
Molecular FormulaC12H10NO+
Molecular Weight184.22 g/mol
Exact Mass184.08
IUPAC NameN-(3H-naphthalen-3-ylium-2-ylidene)acetamide
SMILESCC(=O)/N=C1\C=c2ccccc2=C[CH+]1
InChIInChI=1S/C12H10NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3/q+1/b13-12-
InChIKeyVRXRMTFBVSEIKQ-SEYXRHQNSA-N
XLogP0.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydroquinolinone
CID 56625474
Carbonyl quinolinone
CID 71302596
3-fluoro-3H-quinolin-2-one
CID 119086068
[(6E)-6-methylimino-1-cyclohexa-2,4-dienylidene]methanone
CID 24975403
Benzo[g]quinoxalinedione
CID 85280093
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 134893326
(6-Propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893386
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458
N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide
CID 59850017
6-fluoro-6H-quinolin-2-one
CID 71303965
3-fluoro-4-methylquinolin-2(3H)-one
CID 71650944
(3R)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032449

Frequently Asked Questions

What is the IUPAC name of N-(3H-naphthalen-3-ylium-2-ylidene)acetamide?
The IUPAC name of N-(3H-naphthalen-3-ylium-2-ylidene)acetamide (CID 100944474) is N-(3H-naphthalen-3-ylium-2-ylidene)acetamide.
What is the SMILES notation for N-(3H-naphthalen-3-ylium-2-ylidene)acetamide?
The canonical SMILES for N-(3H-naphthalen-3-ylium-2-ylidene)acetamide is CC(=O)/N=C1\C=c2ccccc2=C[CH+]1.
What is the InChIKey of N-(3H-naphthalen-3-ylium-2-ylidene)acetamide?
The InChIKey is VRXRMTFBVSEIKQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H10NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3/q+1/b13-12-.
What are the key properties of N-(3H-naphthalen-3-ylium-2-ylidene)acetamide?
N-(3H-naphthalen-3-ylium-2-ylidene)acetamide has a molecular weight of 184.22 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-naphthalen-3-ylium-2-ylidene)acetamide is sourced from PubChem (CID 100944474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).