1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol

C9H14N2O — CID 90703707

IUPAC1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol
SMILESCCC(O)C=C1C=CNC(N)=C1
InChIInChI=1S/C9H14N2O/c1-2-8(12)5-7-3-4-11-9(10)6-7/h3-6,8,11-12H,2,10H2,1H3
InChIKeyGOQDQFCKAAHVQW-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.60
Rot. Bonds2

About 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol

1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol (PubChem CID 90703707) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol.

Molecular Properties

Compound Name1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol
PubChem CID90703707
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol
SMILESCCC(O)C=C1C=CNC(N)=C1
InChIInChI=1S/C9H14N2O/c1-2-8(12)5-7-3-4-11-9(10)6-7/h3-6,8,11-12H,2,10H2,1H3
InChIKeyGOQDQFCKAAHVQW-UHFFFAOYSA-N
XLogP0.60
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol?
The IUPAC name of 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol (CID 90703707) is 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol.
What is the SMILES notation for 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol?
The canonical SMILES for 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol is CCC(O)C=C1C=CNC(N)=C1.
What is the InChIKey of 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol?
The InChIKey is GOQDQFCKAAHVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8(12)5-7-3-4-11-9(10)6-7/h3-6,8,11-12H,2,10H2,1H3.
What are the key properties of 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol?
1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol is sourced from PubChem (CID 90703707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).