CID 101236766

C3H8NO2 — CID 101236766

IUPAC—
SMILESCN(C)CO[O]
InChIInChI=1S/C3H8NO2/c1-4(2)3-6-5/h3H2,1-2H3
InChIKeyRSGQPSCUEOXGRR-UHFFFAOYSA-N
MW90.10 g/mol
LogP-0.13
Rot. Bonds2

About CID 101236766

CID 101236766 (PubChem CID 101236766) has the molecular formula C3H8NO2 and a molecular weight of 90.10 g/mol.

Molecular Properties

Compound NameCID 101236766
PubChem CID101236766
Molecular FormulaC3H8NO2
Molecular Weight90.10 g/mol
Exact Mass90.06
IUPAC Name—
SMILESCN(C)CO[O]
InChIInChI=1S/C3H8NO2/c1-4(2)3-6-5/h3H2,1-2H3
InChIKeyRSGQPSCUEOXGRR-UHFFFAOYSA-N
XLogP-0.13
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101236766?
The IUPAC name of CID 101236766 (CID 101236766) is not available.
What is the SMILES notation for CID 101236766?
The canonical SMILES for CID 101236766 is CN(C)CO[O].
What is the InChIKey of CID 101236766?
The InChIKey is RSGQPSCUEOXGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO2/c1-4(2)3-6-5/h3H2,1-2H3.
What are the key properties of CID 101236766?
CID 101236766 has a molecular weight of 90.10 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101236766 is sourced from PubChem (CID 101236766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).