CID 177153070

C8H16CrN3O- — CID 177153070

IUPAC—
SMILESC/N=C(\N)N1CCOC[C-](C)C1.[Cr]
InChIInChI=1S/C8H16N3O.Cr/c1-7-5-11(8(9)10-2)3-4-12-6-7;/h3-6H2,1-2H3,(H2,9,10);/q-1;
InChIKeyWKHCYCHNLFYEDH-UHFFFAOYSA-N
MW222.23 g/mol
LogP-0.15
Rot. Bonds

About CID 177153070

CID 177153070 (PubChem CID 177153070) has the molecular formula C8H16CrN3O- and a molecular weight of 222.23 g/mol.

Molecular Properties

Compound NameCID 177153070
PubChem CID177153070
Molecular FormulaC8H16CrN3O-
Molecular Weight222.23 g/mol
Exact Mass222.07
IUPAC Name—
SMILESC/N=C(\N)N1CCOC[C-](C)C1.[Cr]
InChIInChI=1S/C8H16N3O.Cr/c1-7-5-11(8(9)10-2)3-4-12-6-7;/h3-6H2,1-2H3,(H2,9,10);/q-1;
InChIKeyWKHCYCHNLFYEDH-UHFFFAOYSA-N
XLogP-0.15
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177153070?
The IUPAC name of CID 177153070 (CID 177153070) is not available.
What is the SMILES notation for CID 177153070?
The canonical SMILES for CID 177153070 is C/N=C(\N)N1CCOC[C-](C)C1.[Cr].
What is the InChIKey of CID 177153070?
The InChIKey is WKHCYCHNLFYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3O.Cr/c1-7-5-11(8(9)10-2)3-4-12-6-7;/h3-6H2,1-2H3,(H2,9,10);/q-1;.
What are the key properties of CID 177153070?
CID 177153070 has a molecular weight of 222.23 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177153070 is sourced from PubChem (CID 177153070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).