3-hydroxyiminopropyl carbamate

C4H8N2O3 — CID 175483021

IUPAC3-hydroxyiminopropyl carbamate
SMILESNC(=O)OCCC=NO
InChIInChI=1S/C4H8N2O3/c5-4(7)9-3-1-2-6-8/h2,8H,1,3H2,(H2,5,7)
InChIKeyRWDMKDPVJSKFCR-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.07
Rot. Bonds3

About 3-hydroxyiminopropyl carbamate

3-hydroxyiminopropyl carbamate (PubChem CID 175483021) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 3-hydroxyiminopropyl carbamate.

Molecular Properties

Compound Name3-hydroxyiminopropyl carbamate
PubChem CID175483021
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name3-hydroxyiminopropyl carbamate
SMILESNC(=O)OCCC=NO
InChIInChI=1S/C4H8N2O3/c5-4(7)9-3-1-2-6-8/h2,8H,1,3H2,(H2,5,7)
InChIKeyRWDMKDPVJSKFCR-UHFFFAOYSA-N
XLogP-0.07
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyiminopropyl carbamate?
The IUPAC name of 3-hydroxyiminopropyl carbamate (CID 175483021) is 3-hydroxyiminopropyl carbamate.
What is the SMILES notation for 3-hydroxyiminopropyl carbamate?
The canonical SMILES for 3-hydroxyiminopropyl carbamate is NC(=O)OCCC=NO.
What is the InChIKey of 3-hydroxyiminopropyl carbamate?
The InChIKey is RWDMKDPVJSKFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c5-4(7)9-3-1-2-6-8/h2,8H,1,3H2,(H2,5,7).
What are the key properties of 3-hydroxyiminopropyl carbamate?
3-hydroxyiminopropyl carbamate has a molecular weight of 132.12 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyiminopropyl carbamate is sourced from PubChem (CID 175483021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).