(2-amino-4-prop-2-enyl-3-pyridinyl) formate

C9H10N2O2 — CID 175459901

IUPAC(2-amino-4-prop-2-enyl-3-pyridinyl) formate
SMILESC=CCc1ccnc(N)c1OC=O
InChIInChI=1S/C9H10N2O2/c1-2-3-7-4-5-11-9(10)8(7)13-6-12/h2,4-6H,1,3H2,(H2,10,11)
InChIKeyWJEOFZONUSYKAH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.93
Rot. Bonds4

About (2-amino-4-prop-2-enyl-3-pyridinyl) formate

(2-amino-4-prop-2-enyl-3-pyridinyl) formate (PubChem CID 175459901) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (2-amino-4-prop-2-enyl-3-pyridinyl) formate.

Molecular Properties

Compound Name(2-amino-4-prop-2-enyl-3-pyridinyl) formate
PubChem CID175459901
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(2-amino-4-prop-2-enyl-3-pyridinyl) formate
SMILESC=CCc1ccnc(N)c1OC=O
InChIInChI=1S/C9H10N2O2/c1-2-3-7-4-5-11-9(10)8(7)13-6-12/h2,4-6H,1,3H2,(H2,10,11)
InChIKeyWJEOFZONUSYKAH-UHFFFAOYSA-N
XLogP0.93
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enylpyridin-2-amine
CID 22022139
(2-amino-4-chloro-3-pyridinyl) formate;(4-chloro-2-methyl-3-pyridinyl) formate;methane
CID 167665157
4-prop-2-enylpyridine-3-carbaldehyde
CID 11309589
2-(8-aminoquinolin-4-yl)acetaldehyde
CID 174157717
(2-amino-3-pyridinyl)methyl formate
CID 174668609
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425
(2-prop-2-enylphenyl)methyl formate
CID 173226102
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591
4-[2-(2-formyloxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-oxobutanoic acid
CID 87721756
trimethyl-(2-methyl-6-prop-2-enylphenoxy)silane
CID 19737589
2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107061102
2-but-3-enylpyridin-4-amine
CID 134371583

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-prop-2-enyl-3-pyridinyl) formate?
The IUPAC name of (2-amino-4-prop-2-enyl-3-pyridinyl) formate (CID 175459901) is (2-amino-4-prop-2-enyl-3-pyridinyl) formate.
What is the SMILES notation for (2-amino-4-prop-2-enyl-3-pyridinyl) formate?
The canonical SMILES for (2-amino-4-prop-2-enyl-3-pyridinyl) formate is C=CCc1ccnc(N)c1OC=O.
What is the InChIKey of (2-amino-4-prop-2-enyl-3-pyridinyl) formate?
The InChIKey is WJEOFZONUSYKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-3-7-4-5-11-9(10)8(7)13-6-12/h2,4-6H,1,3H2,(H2,10,11).
What are the key properties of (2-amino-4-prop-2-enyl-3-pyridinyl) formate?
(2-amino-4-prop-2-enyl-3-pyridinyl) formate has a molecular weight of 178.19 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-prop-2-enyl-3-pyridinyl) formate is sourced from PubChem (CID 175459901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).