carbamic acid;indigane

CH6InNO2 — CID 174683885

IUPACcarbamic acid;indigane
SMILESNC(=O)O.[InH3]
InChIInChI=1S/CH3NO2.In.3H/c2-1(3)4;;;;/h2H2,(H,3,4);;;;
InChIKeyRQRLCFCXDFUZCQ-UHFFFAOYSA-N
MW178.88 g/mol
LogP-1.56
Rot. Bonds

About carbamic acid;indigane

carbamic acid;indigane (PubChem CID 174683885) has the molecular formula CH6InNO2 and a molecular weight of 178.88 g/mol. Its IUPAC name is carbamic acid;indigane.

Molecular Properties

Compound Namecarbamic acid;indigane
PubChem CID174683885
Molecular FormulaCH6InNO2
Molecular Weight178.88 g/mol
Exact Mass178.94
IUPAC Namecarbamic acid;indigane
SMILESNC(=O)O.[InH3]
InChIInChI=1S/CH3NO2.In.3H/c2-1(3)4;;;;/h2H2,(H,3,4);;;;
InChIKeyRQRLCFCXDFUZCQ-UHFFFAOYSA-N
XLogP-1.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.88
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;indigane?
The IUPAC name of carbamic acid;indigane (CID 174683885) is carbamic acid;indigane.
What is the SMILES notation for carbamic acid;indigane?
The canonical SMILES for carbamic acid;indigane is NC(=O)O.[InH3].
What is the InChIKey of carbamic acid;indigane?
The InChIKey is RQRLCFCXDFUZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2.In.3H/c2-1(3)4;;;;/h2H2,(H,3,4);;;;.
What are the key properties of carbamic acid;indigane?
carbamic acid;indigane has a molecular weight of 178.88 g/mol, XLogP of -1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;indigane is sourced from PubChem (CID 174683885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).