CID 163620689

C3H9IN2 — CID 163620689

IUPAC—
SMILESCN1CC[NH2+][I-]1
InChIInChI=1S/C3H9IN2/c1-6-3-2-5-4-6/h2-3,5H2,1H3
InChIKeyFQUNQDPCWTXZOW-UHFFFAOYSA-N
MW200.02 g/mol
LogP-4.59
Rot. Bonds

About CID 163620689

CID 163620689 (PubChem CID 163620689) has the molecular formula C3H9IN2 and a molecular weight of 200.02 g/mol.

Molecular Properties

Compound NameCID 163620689
PubChem CID163620689
Molecular FormulaC3H9IN2
Molecular Weight200.02 g/mol
Exact Mass199.98
IUPAC Name—
SMILESCN1CC[NH2+][I-]1
InChIInChI=1S/C3H9IN2/c1-6-3-2-5-4-6/h2-3,5H2,1H3
InChIKeyFQUNQDPCWTXZOW-UHFFFAOYSA-N
XLogP-4.59
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 5-4.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163620689?
The IUPAC name of CID 163620689 (CID 163620689) is not available.
What is the SMILES notation for CID 163620689?
The canonical SMILES for CID 163620689 is CN1CC[NH2+][I-]1.
What is the InChIKey of CID 163620689?
The InChIKey is FQUNQDPCWTXZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9IN2/c1-6-3-2-5-4-6/h2-3,5H2,1H3.
What are the key properties of CID 163620689?
CID 163620689 has a molecular weight of 200.02 g/mol, XLogP of -4.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163620689 is sourced from PubChem (CID 163620689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).