CID 153420410

C9H11N2O2 — CID 153420410

IUPAC—
SMILES[NH]c1cccn(C2CC[C@@H]2O)c1=O
InChIInChI=1S/C9H11N2O2/c10-6-2-1-5-11(9(6)13)7-3-4-8(7)12/h1-2,5,7-8,10,12H,3-4H2/t7?,8-/m0/s1
InChIKeyNOYBMYMRUDXULJ-MQWKRIRWSA-N
MW179.20 g/mol
LogP0.46
Rot. Bonds1

About CID 153420410

CID 153420410 (PubChem CID 153420410) has the molecular formula C9H11N2O2 and a molecular weight of 179.20 g/mol.

Molecular Properties

Compound NameCID 153420410
PubChem CID153420410
Molecular FormulaC9H11N2O2
Molecular Weight179.20 g/mol
Exact Mass179.08
IUPAC Name—
SMILES[NH]c1cccn(C2CC[C@@H]2O)c1=O
InChIInChI=1S/C9H11N2O2/c10-6-2-1-5-11(9(6)13)7-3-4-8(7)12/h1-2,5,7-8,10,12H,3-4H2/t7?,8-/m0/s1
InChIKeyNOYBMYMRUDXULJ-MQWKRIRWSA-N
XLogP0.46
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 172415356
3-Amino-1-(4,4-difluoro-1-hydroxybutan-2-yl)pyridin-2-one
CID 172415357
3-Amino-1-(4,4,4-trifluoro-1-hydroxybutan-2-yl)pyridin-2-one
CID 172415358
1-[(1S,2S)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
CID 137449073
1-[(1R,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
CID 137449076
1-[(1S,2R)-2-hydroxycyclobutyl]-3-(methylamino)pyridin-2-one
CID 137449428
3-amino-1-[(1S,2S)-2-methoxycyclobutyl]pyridin-2-one
CID 137450543
tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
CID 137450636
3-amino-1-[(1R,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450803
3-amino-1-[(1S,2S)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450805
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450808
3-amino-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one
CID 137450914

Frequently Asked Questions

What is the IUPAC name of CID 153420410?
The IUPAC name of CID 153420410 (CID 153420410) is not available.
What is the SMILES notation for CID 153420410?
The canonical SMILES for CID 153420410 is [NH]c1cccn(C2CC[C@@H]2O)c1=O.
What is the InChIKey of CID 153420410?
The InChIKey is NOYBMYMRUDXULJ-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H11N2O2/c10-6-2-1-5-11(9(6)13)7-3-4-8(7)12/h1-2,5,7-8,10,12H,3-4H2/t7?,8-/m0/s1.
What are the key properties of CID 153420410?
CID 153420410 has a molecular weight of 179.20 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153420410 is sourced from PubChem (CID 153420410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).