CID 87675783

CH4CaN2O — CID 87675783

IUPAC—
SMILESNC(N)=O.[Ca]
InChIInChI=1S/CH4N2O.Ca/c2-1(3)4;/h(H4,2,3,4);
InChIKeyBTZJQYVYGCCNHY-UHFFFAOYSA-N
MW100.13 g/mol
LogP-1.36
Rot. Bonds

About CID 87675783

CID 87675783 (PubChem CID 87675783) has the molecular formula CH4CaN2O and a molecular weight of 100.13 g/mol.

Molecular Properties

Compound NameCID 87675783
PubChem CID87675783
Molecular FormulaCH4CaN2O
Molecular Weight100.13 g/mol
Exact Mass99.99
IUPAC Name—
SMILESNC(N)=O.[Ca]
InChIInChI=1S/CH4N2O.Ca/c2-1(3)4;/h(H4,2,3,4);
InChIKeyBTZJQYVYGCCNHY-UHFFFAOYSA-N
XLogP-1.36
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.13
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 87675783?
The IUPAC name of CID 87675783 (CID 87675783) is not available.
What is the SMILES notation for CID 87675783?
The canonical SMILES for CID 87675783 is NC(N)=O.[Ca].
What is the InChIKey of CID 87675783?
The InChIKey is BTZJQYVYGCCNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.Ca/c2-1(3)4;/h(H4,2,3,4);.
What are the key properties of CID 87675783?
CID 87675783 has a molecular weight of 100.13 g/mol, XLogP of -1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87675783 is sourced from PubChem (CID 87675783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).