2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole

C15H17N — CID 118187093

IUPAC2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole
SMILESC=C1CC2=C(/C=C\C)C3=CC=CCC3N2C1
InChIInChI=1S/C15H17N/c1-3-6-12-13-7-4-5-8-14(13)16-10-11(2)9-15(12)16/h3-7,14H,2,8-10H2,1H3/b6-3-
InChIKeyMSJKGWXICYHELL-UTCJRWHESA-N
MW211.31 g/mol
LogP3.35
Rot. Bonds1

About 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole

2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole (PubChem CID 118187093) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole.

Molecular Properties

Compound Name2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole
PubChem CID118187093
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole
SMILESC=C1CC2=C(/C=C\C)C3=CC=CCC3N2C1
InChIInChI=1S/C15H17N/c1-3-6-12-13-7-4-5-8-14(13)16-10-11(2)9-15(12)16/h3-7,14H,2,8-10H2,1H3/b6-3-
InChIKeyMSJKGWXICYHELL-UTCJRWHESA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole?
The IUPAC name of 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole (CID 118187093) is 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole.
What is the SMILES notation for 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole?
The canonical SMILES for 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole is C=C1CC2=C(/C=C\C)C3=CC=CCC3N2C1.
What is the InChIKey of 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole?
The InChIKey is MSJKGWXICYHELL-UTCJRWHESA-N. The full InChI is InChI=1S/C15H17N/c1-3-6-12-13-7-4-5-8-14(13)16-10-11(2)9-15(12)16/h3-7,14H,2,8-10H2,1H3/b6-3-.
What are the key properties of 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole?
2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole has a molecular weight of 211.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole is sourced from PubChem (CID 118187093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).