[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone

C10H11NO2 — CID 116921184

IUPAC[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1(CO)CC1
InChIInChI=1S/C10H11NO2/c12-7-10(4-5-10)9(13)8-3-1-2-6-11-8/h1-3,6,12H,4-5,7H2
InChIKeyMTMDKWTYXRPEPN-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.04
Rot. Bonds3

About [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone

[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone (PubChem CID 116921184) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone
PubChem CID116921184
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1(CO)CC1
InChIInChI=1S/C10H11NO2/c12-7-10(4-5-10)9(13)8-3-1-2-6-11-8/h1-3,6,12H,4-5,7H2
InChIKeyMTMDKWTYXRPEPN-UHFFFAOYSA-N
XLogP1.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-pyridin-2-ylmethanone
CID 82281287
1-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 115182071
gadolinium;pyridine-2-carboxylic acid
CID 175231422
[1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone
CID 66748660
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 173156131
CID 173156131
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227
[1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone
CID 89244312
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone?
The IUPAC name of [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone (CID 116921184) is [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)C1(CO)CC1.
What is the InChIKey of [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone?
The InChIKey is MTMDKWTYXRPEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-7-10(4-5-10)9(13)8-3-1-2-6-11-8/h1-3,6,12H,4-5,7H2.
What are the key properties of [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone?
[1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone has a molecular weight of 177.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclopropyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 116921184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).