1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol

C8H12N2O — CID 174294309

IUPAC1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol
SMILESC=CC(N)(O)C1=CCNC=C1
InChIInChI=1S/C8H12N2O/c1-2-8(9,11)7-3-5-10-6-4-7/h2-5,10-11H,1,6,9H2
InChIKeyKTYPMEKOEHSLGX-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.14
Rot. Bonds2

About 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol

1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol (PubChem CID 174294309) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol
PubChem CID174294309
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol
SMILESC=CC(N)(O)C1=CCNC=C1
InChIInChI=1S/C8H12N2O/c1-2-8(9,11)7-3-5-10-6-4-7/h2-5,10-11H,1,6,9H2
InChIKeyKTYPMEKOEHSLGX-UHFFFAOYSA-N
XLogP-0.14
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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2,3-Dihydroisoquinolin-5-ol
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Amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol
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(3E,4E,7Z,9Z)-2-amino-3-(aminomethylidene)-5,8-dimethyl-6-methylideneundeca-4,7,9-trien-2-ol
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(3E,4Z,7Z,9Z)-5-amino-2-(ethylamino)-3-ethylidene-8-methyl-6-methylidenedodeca-4,7,9,11-tetraen-2-ol
CID 137503906

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol?
The IUPAC name of 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol (CID 174294309) is 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol?
The canonical SMILES for 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol is C=CC(N)(O)C1=CCNC=C1.
What is the InChIKey of 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol?
The InChIKey is KTYPMEKOEHSLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-8(9,11)7-3-5-10-6-4-7/h2-5,10-11H,1,6,9H2.
What are the key properties of 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol?
1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol has a molecular weight of 152.20 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 174294309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).