N-prop-2-enylcinnolin-3-amine

C11H11N3 — CID 69404307

IUPACN-prop-2-enylcinnolin-3-amine
SMILESC=CCNc1cc2ccccc2nn1
InChIInChI=1S/C11H11N3/c1-2-7-12-11-8-9-5-3-4-6-10(9)13-14-11/h2-6,8H,1,7H2,(H,12,14)
InChIKeyYTSRTSIXFHWNCM-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.23
Rot. Bonds3

About N-prop-2-enylcinnolin-3-amine

N-prop-2-enylcinnolin-3-amine (PubChem CID 69404307) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-prop-2-enylcinnolin-3-amine.

Molecular Properties

Compound NameN-prop-2-enylcinnolin-3-amine
PubChem CID69404307
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC NameN-prop-2-enylcinnolin-3-amine
SMILESC=CCNc1cc2ccccc2nn1
InChIInChI=1S/C11H11N3/c1-2-7-12-11-8-9-5-3-4-6-10(9)13-14-11/h2-6,8H,1,7H2,(H,12,14)
InChIKeyYTSRTSIXFHWNCM-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylcinnolin-3-amine?
The IUPAC name of N-prop-2-enylcinnolin-3-amine (CID 69404307) is N-prop-2-enylcinnolin-3-amine.
What is the SMILES notation for N-prop-2-enylcinnolin-3-amine?
The canonical SMILES for N-prop-2-enylcinnolin-3-amine is C=CCNc1cc2ccccc2nn1.
What is the InChIKey of N-prop-2-enylcinnolin-3-amine?
The InChIKey is YTSRTSIXFHWNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-7-12-11-8-9-5-3-4-6-10(9)13-14-11/h2-6,8H,1,7H2,(H,12,14).
What are the key properties of N-prop-2-enylcinnolin-3-amine?
N-prop-2-enylcinnolin-3-amine has a molecular weight of 185.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcinnolin-3-amine is sourced from PubChem (CID 69404307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).