(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole

C15H17N — CID 59221899

IUPAC(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole
SMILESC=C/C=C1\C(=C)CC2CC3=CC=CCC3N12
InChIInChI=1S/C15H17N/c1-3-6-14-11(2)9-13-10-12-7-4-5-8-15(12)16(13)14/h3-7,13,15H,1-2,8-10H2/b14-6+
InChIKeyUJUMDNCULFBLOF-MKMNVTDBSA-N
MW211.31 g/mol
LogP3.35
Rot. Bonds1

About (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole

(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole (PubChem CID 59221899) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole
PubChem CID59221899
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole
SMILESC=C/C=C1\C(=C)CC2CC3=CC=CCC3N12
InChIInChI=1S/C15H17N/c1-3-6-14-11(2)9-13-10-12-7-4-5-8-15(12)16(13)14/h3-7,13,15H,1-2,8-10H2/b14-6+
InChIKeyUJUMDNCULFBLOF-MKMNVTDBSA-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

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole?
The IUPAC name of (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole (CID 59221899) is (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole.
What is the SMILES notation for (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole?
The canonical SMILES for (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole is C=C/C=C1\C(=C)CC2CC3=CC=CCC3N12.
What is the InChIKey of (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole?
The InChIKey is UJUMDNCULFBLOF-MKMNVTDBSA-N. The full InChI is InChI=1S/C15H17N/c1-3-6-14-11(2)9-13-10-12-7-4-5-8-15(12)16(13)14/h3-7,13,15H,1-2,8-10H2/b14-6+.
What are the key properties of (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole?
(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[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 (1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 59221899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).