CID 101215872

C3H8NO — CID 101215872

IUPAC—
SMILESC[CH]C(N)O
InChIInChI=1S/C3H8NO/c1-2-3(4)5/h2-3,5H,4H2,1H3
InChIKeyHXUXIHSFZBQZPA-UHFFFAOYSA-N
MW74.10 g/mol
LogP-0.51
Rot. Bonds1

About CID 101215872

CID 101215872 (PubChem CID 101215872) has the molecular formula C3H8NO and a molecular weight of 74.10 g/mol.

Molecular Properties

Compound NameCID 101215872
PubChem CID101215872
Molecular FormulaC3H8NO
Molecular Weight74.10 g/mol
Exact Mass74.06
IUPAC Name—
SMILESC[CH]C(N)O
InChIInChI=1S/C3H8NO/c1-2-3(4)5/h2-3,5H,4H2,1H3
InChIKeyHXUXIHSFZBQZPA-UHFFFAOYSA-N
XLogP-0.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 90246451
(S)-amino(phosphanyl)methanol
CID 173485224
hydroxylamine;propan-2-ol
CID 22024851
(2S,3R)-3-aminopent-4-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of CID 101215872?
The IUPAC name of CID 101215872 (CID 101215872) is not available.
What is the SMILES notation for CID 101215872?
The canonical SMILES for CID 101215872 is C[CH]C(N)O.
What is the InChIKey of CID 101215872?
The InChIKey is HXUXIHSFZBQZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO/c1-2-3(4)5/h2-3,5H,4H2,1H3.
What are the key properties of CID 101215872?
CID 101215872 has a molecular weight of 74.10 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101215872 is sourced from PubChem (CID 101215872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).