3-methylidene-2H-isoquinolin-1-amine

C10H10N2 — CID 87550236

IUPAC3-methylidene-2H-isoquinolin-1-amine
SMILESC=C1C=c2ccccc2=C(N)N1
InChIInChI=1S/C10H10N2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-6,12H,1,11H2
InChIKeyBDOQJOCUIHDMIV-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.39
Rot. Bonds

About 3-methylidene-2H-isoquinolin-1-amine

3-methylidene-2H-isoquinolin-1-amine (PubChem CID 87550236) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-methylidene-2H-isoquinolin-1-amine.

Molecular Properties

Compound Name3-methylidene-2H-isoquinolin-1-amine
PubChem CID87550236
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3-methylidene-2H-isoquinolin-1-amine
SMILESC=C1C=c2ccccc2=C(N)N1
InChIInChI=1S/C10H10N2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-6,12H,1,11H2
InChIKeyBDOQJOCUIHDMIV-UHFFFAOYSA-N
XLogP-0.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2H-isoquinolin-1-amine?
The IUPAC name of 3-methylidene-2H-isoquinolin-1-amine (CID 87550236) is 3-methylidene-2H-isoquinolin-1-amine.
What is the SMILES notation for 3-methylidene-2H-isoquinolin-1-amine?
The canonical SMILES for 3-methylidene-2H-isoquinolin-1-amine is C=C1C=c2ccccc2=C(N)N1.
What is the InChIKey of 3-methylidene-2H-isoquinolin-1-amine?
The InChIKey is BDOQJOCUIHDMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-6,12H,1,11H2.
What are the key properties of 3-methylidene-2H-isoquinolin-1-amine?
3-methylidene-2H-isoquinolin-1-amine has a molecular weight of 158.20 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2H-isoquinolin-1-amine is sourced from PubChem (CID 87550236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).