CID 172758023

C7H10KN2O — CID 172758023

IUPAC—
SMILESCCCc1nccc(=O)[nH]1.[K]
InChIInChI=1S/C7H10N2O.K/c1-2-3-6-8-5-4-7(10)9-6;/h4-5H,2-3H2,1H3,(H,8,9,10);
InChIKeyLHIDQZJQHJRAFE-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.34
Rot. Bonds2

About CID 172758023

CID 172758023 (PubChem CID 172758023) has the molecular formula C7H10KN2O and a molecular weight of 177.27 g/mol.

Molecular Properties

Compound NameCID 172758023
PubChem CID172758023
Molecular FormulaC7H10KN2O
Molecular Weight177.27 g/mol
Exact Mass177.04
IUPAC Name—
SMILESCCCc1nccc(=O)[nH]1.[K]
InChIInChI=1S/C7H10N2O.K/c1-2-3-6-8-5-4-7(10)9-6;/h4-5H,2-3H2,1H3,(H,8,9,10);
InChIKeyLHIDQZJQHJRAFE-UHFFFAOYSA-N
XLogP0.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-1H-pyrimidin-6-one
CID 10511035
2-(2-ethoxyethyl)-1H-pyrimidin-6-one
CID 106814924
2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 65130294
2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
CID 65130539
2-[3-(4-aminophenyl)propyl]-1H-pyrimidin-6-one
CID 82474106
ethane;2-(6-oxo-1H-pyrimidin-2-yl)acetamide
CID 143594658
2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146593
2-amino-4-(6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 54353358
N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide
CID 177366183
2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
CID 43654591
2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 84652111
2-[2-(3-aminophenoxy)ethyl]-1H-pyrimidin-6-one
CID 82474779

Frequently Asked Questions

What is the IUPAC name of CID 172758023?
The IUPAC name of CID 172758023 (CID 172758023) is not available.
What is the SMILES notation for CID 172758023?
The canonical SMILES for CID 172758023 is CCCc1nccc(=O)[nH]1.[K].
What is the InChIKey of CID 172758023?
The InChIKey is LHIDQZJQHJRAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.K/c1-2-3-6-8-5-4-7(10)9-6;/h4-5H,2-3H2,1H3,(H,8,9,10);.
What are the key properties of CID 172758023?
CID 172758023 has a molecular weight of 177.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172758023 is sourced from PubChem (CID 172758023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).