3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole

C11H13N — CID 22951577

IUPAC3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole
SMILESC/C=C/C1=CNC2C=CC=CC12
InChIInChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h2-8,10-12H,1H3/b5-2+
InChIKeyGFXCSEZRSZLPPD-GORDUTHDSA-N
MW159.23 g/mol
LogP2.16
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole

3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole (PubChem CID 22951577) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole
PubChem CID22951577
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole
SMILESC/C=C/C1=CNC2C=CC=CC12
InChIInChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h2-8,10-12H,1H3/b5-2+
InChIKeyGFXCSEZRSZLPPD-GORDUTHDSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole?
The IUPAC name of 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole (CID 22951577) is 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole?
The canonical SMILES for 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole is C/C=C/C1=CNC2C=CC=CC12.
What is the InChIKey of 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole?
The InChIKey is GFXCSEZRSZLPPD-GORDUTHDSA-N. The full InChI is InChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h2-8,10-12H,1H3/b5-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole?
3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole has a molecular weight of 159.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 22951577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).