N-[(1-oxoinden-2-yl)methylidene]formamide

C11H7NO2 — CID 140984070

IUPACN-[(1-oxoinden-2-yl)methylidene]formamide
SMILESO=C/N=C/C1=Cc2ccccc2C1=O
InChIInChI=1S/C11H7NO2/c13-7-12-6-9-5-8-3-1-2-4-10(8)11(9)14/h1-7H/b12-6+
InChIKeyXQIIUGCOBKGHLL-WUXMJOGZSA-N
MW185.18 g/mol
LogP1.49
Rot. Bonds2

About N-[(1-oxoinden-2-yl)methylidene]formamide

N-[(1-oxoinden-2-yl)methylidene]formamide (PubChem CID 140984070) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-[(1-oxoinden-2-yl)methylidene]formamide.

Molecular Properties

Compound NameN-[(1-oxoinden-2-yl)methylidene]formamide
PubChem CID140984070
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC NameN-[(1-oxoinden-2-yl)methylidene]formamide
SMILESO=C/N=C/C1=Cc2ccccc2C1=O
InChIInChI=1S/C11H7NO2/c13-7-12-6-9-5-8-3-1-2-4-10(8)11(9)14/h1-7H/b12-6+
InChIKeyXQIIUGCOBKGHLL-WUXMJOGZSA-N
XLogP1.49
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylinden-1-one
CID 10878305
3-prop-2-enylnaphthalene-1,2-dione
CID 11252602
2-[(E)-prop-1-enyl]naphthalene-1,4-dione
CID 139241161
4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one
CID 171573690
3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde
CID 173063518
(1,4-dioxonaphthalen-2-yl) formate
CID 175556159
3-(2-methylpropanoyl)naphthalene-1,2-dione
CID 86223876
2-[(E)-2-nitroethenyl]naphthalene-1,4-dione
CID 10922290
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 66807709
CID 66807709

Frequently Asked Questions

What is the IUPAC name of N-[(1-oxoinden-2-yl)methylidene]formamide?
The IUPAC name of N-[(1-oxoinden-2-yl)methylidene]formamide (CID 140984070) is N-[(1-oxoinden-2-yl)methylidene]formamide.
What is the SMILES notation for N-[(1-oxoinden-2-yl)methylidene]formamide?
The canonical SMILES for N-[(1-oxoinden-2-yl)methylidene]formamide is O=C/N=C/C1=Cc2ccccc2C1=O.
What is the InChIKey of N-[(1-oxoinden-2-yl)methylidene]formamide?
The InChIKey is XQIIUGCOBKGHLL-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H7NO2/c13-7-12-6-9-5-8-3-1-2-4-10(8)11(9)14/h1-7H/b12-6+.
What are the key properties of N-[(1-oxoinden-2-yl)methylidene]formamide?
N-[(1-oxoinden-2-yl)methylidene]formamide has a molecular weight of 185.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-oxoinden-2-yl)methylidene]formamide is sourced from PubChem (CID 140984070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).