(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate

C9H10N2O3 — CID 175424495

IUPAC(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate
SMILESNC(=O)OC(C=O)Cc1cccnc1
InChIInChI=1S/C9H10N2O3/c10-9(13)14-8(6-12)4-7-2-1-3-11-5-7/h1-3,5-6,8H,4H2,(H2,10,13)
InChIKeyKUXOSEMSISEORG-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.29
Rot. Bonds4

About (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate

(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate (PubChem CID 175424495) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate.

Molecular Properties

Compound Name(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate
PubChem CID175424495
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate
SMILESNC(=O)OC(C=O)Cc1cccnc1
InChIInChI=1S/C9H10N2O3/c10-9(13)14-8(6-12)4-7-2-1-3-11-5-7/h1-3,5-6,8H,4H2,(H2,10,13)
InChIKeyKUXOSEMSISEORG-UHFFFAOYSA-N
XLogP0.29
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2-formyl-3-pyridin-3-ylpropanoate
CID 88747372
(1-amino-2-pyridin-3-ylethyl) formate
CID 174641191
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide
CID 21464846
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
CID 175249859
1-nitroso-2-pyridin-3-ylethanamine
CID 154954091
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189

Frequently Asked Questions

What is the IUPAC name of (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate?
The IUPAC name of (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate (CID 175424495) is (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate.
What is the SMILES notation for (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate?
The canonical SMILES for (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate is NC(=O)OC(C=O)Cc1cccnc1.
What is the InChIKey of (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate?
The InChIKey is KUXOSEMSISEORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-9(13)14-8(6-12)4-7-2-1-3-11-5-7/h1-3,5-6,8H,4H2,(H2,10,13).
What are the key properties of (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate?
(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate has a molecular weight of 194.19 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate is sourced from PubChem (CID 175424495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).