1-methylidene-2,3-dihydroinden-4-amine

C10H11N — CID 143813734

IUPAC1-methylidene-2,3-dihydroinden-4-amine
SMILESC=C1CCc2c(N)cccc21
InChIInChI=1S/C10H11N/c1-7-5-6-9-8(7)3-2-4-10(9)11/h2-4H,1,5-6,11H2
InChIKeyPGDHEDAYGQFOHC-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.23
Rot. Bonds

About 1-methylidene-2,3-dihydroinden-4-amine

1-methylidene-2,3-dihydroinden-4-amine (PubChem CID 143813734) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-methylidene-2,3-dihydroinden-4-amine.

Molecular Properties

Compound Name1-methylidene-2,3-dihydroinden-4-amine
PubChem CID143813734
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1-methylidene-2,3-dihydroinden-4-amine
SMILESC=C1CCc2c(N)cccc21
InChIInChI=1S/C10H11N/c1-7-5-6-9-8(7)3-2-4-10(9)11/h2-4H,1,5-6,11H2
InChIKeyPGDHEDAYGQFOHC-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2,3-dihydroinden-4-amine?
The IUPAC name of 1-methylidene-2,3-dihydroinden-4-amine (CID 143813734) is 1-methylidene-2,3-dihydroinden-4-amine.
What is the SMILES notation for 1-methylidene-2,3-dihydroinden-4-amine?
The canonical SMILES for 1-methylidene-2,3-dihydroinden-4-amine is C=C1CCc2c(N)cccc21.
What is the InChIKey of 1-methylidene-2,3-dihydroinden-4-amine?
The InChIKey is PGDHEDAYGQFOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-7-5-6-9-8(7)3-2-4-10(9)11/h2-4H,1,5-6,11H2.
What are the key properties of 1-methylidene-2,3-dihydroinden-4-amine?
1-methylidene-2,3-dihydroinden-4-amine has a molecular weight of 145.20 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2,3-dihydroinden-4-amine is sourced from PubChem (CID 143813734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).