(oxan-3-ylideneamino)carbamic acid

C6H10N2O3 — CID 175190230

IUPAC(oxan-3-ylideneamino)carbamic acid
SMILESO=C(O)NN=C1CCCOC1
InChIInChI=1S/C6H10N2O3/c9-6(10)8-7-5-2-1-3-11-4-5/h8H,1-4H2,(H,9,10)
InChIKeyMQZBTPGXKSVLDY-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.42
Rot. Bonds1

About (oxan-3-ylideneamino)carbamic acid

(oxan-3-ylideneamino)carbamic acid (PubChem CID 175190230) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (oxan-3-ylideneamino)carbamic acid.

Molecular Properties

Compound Name(oxan-3-ylideneamino)carbamic acid
PubChem CID175190230
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(oxan-3-ylideneamino)carbamic acid
SMILESO=C(O)NN=C1CCCOC1
InChIInChI=1S/C6H10N2O3/c9-6(10)8-7-5-2-1-3-11-4-5/h8H,1-4H2,(H,9,10)
InChIKeyMQZBTPGXKSVLDY-UHFFFAOYSA-N
XLogP0.42
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (oxan-3-ylideneamino)carbamic acid?
The IUPAC name of (oxan-3-ylideneamino)carbamic acid (CID 175190230) is (oxan-3-ylideneamino)carbamic acid.
What is the SMILES notation for (oxan-3-ylideneamino)carbamic acid?
The canonical SMILES for (oxan-3-ylideneamino)carbamic acid is O=C(O)NN=C1CCCOC1.
What is the InChIKey of (oxan-3-ylideneamino)carbamic acid?
The InChIKey is MQZBTPGXKSVLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-6(10)8-7-5-2-1-3-11-4-5/h8H,1-4H2,(H,9,10).
What are the key properties of (oxan-3-ylideneamino)carbamic acid?
(oxan-3-ylideneamino)carbamic acid has a molecular weight of 158.16 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (oxan-3-ylideneamino)carbamic acid is sourced from PubChem (CID 175190230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).