1-indiganyl-N-methylformamide

C2H6InNO — CID 157075368

IUPAC1-indiganyl-N-methylformamide
SMILESCNC(=O)[InH2]
InChIInChI=1S/C2H4NO.In.2H/c1-3-2-4;;;/h1H3,(H,3,4);;;
InChIKeyKYAOJAVXUXXJDE-UHFFFAOYSA-N
MW174.89 g/mol
LogP-1.04
Rot. Bonds

About 1-indiganyl-N-methylformamide

1-indiganyl-N-methylformamide (PubChem CID 157075368) has the molecular formula C2H6InNO and a molecular weight of 174.89 g/mol. Its IUPAC name is 1-indiganyl-N-methylformamide.

Molecular Properties

Compound Name1-indiganyl-N-methylformamide
PubChem CID157075368
Molecular FormulaC2H6InNO
Molecular Weight174.89 g/mol
Exact Mass174.95
IUPAC Name1-indiganyl-N-methylformamide
SMILESCNC(=O)[InH2]
InChIInChI=1S/C2H4NO.In.2H/c1-3-2-4;;;/h1H3,(H,3,4);;;
InChIKeyKYAOJAVXUXXJDE-UHFFFAOYSA-N
XLogP-1.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.89
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethylurea
CID 163366790
N,N'-di((113C)methyl)oxamide
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1,3-dimethylurea
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CID 22943737
bis(N-methylacetamide);propan-2-one
CID 158104043
methane;N-methylacetamide
CID 169425645
CID 159040973
CID 159040973
3-methyl-4-(methylamino)pent-3-en-2-one
CID 20584278
methylurea;ruthenium
CID 159209634
formaldehyde;N-methylacetamide
CID 159490973
potassium;hydride;N-methylacetamide
CID 173418413
hydrazine;methylurea
CID 158581810

Frequently Asked Questions

What is the IUPAC name of 1-indiganyl-N-methylformamide?
The IUPAC name of 1-indiganyl-N-methylformamide (CID 157075368) is 1-indiganyl-N-methylformamide.
What is the SMILES notation for 1-indiganyl-N-methylformamide?
The canonical SMILES for 1-indiganyl-N-methylformamide is CNC(=O)[InH2].
What is the InChIKey of 1-indiganyl-N-methylformamide?
The InChIKey is KYAOJAVXUXXJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO.In.2H/c1-3-2-4;;;/h1H3,(H,3,4);;;.
What are the key properties of 1-indiganyl-N-methylformamide?
1-indiganyl-N-methylformamide has a molecular weight of 174.89 g/mol, XLogP of -1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indiganyl-N-methylformamide is sourced from PubChem (CID 157075368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).