3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole

C12H15N — CID 167147131

IUPAC3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole
SMILESC/C=C\c1[nH]c2c(c1C)CCC=C2
InChIInChI=1S/C12H15N/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11/h3,5-6,8,13H,4,7H2,1-2H3/b6-3-
InChIKeyGDJMBQQWGKOEMM-UTCJRWHESA-N
MW173.26 g/mol
LogP3.32
Rot. Bonds1

About 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole

3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole (PubChem CID 167147131) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole.

Molecular Properties

Compound Name3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole
PubChem CID167147131
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole
SMILESC/C=C\c1[nH]c2c(c1C)CCC=C2
InChIInChI=1S/C12H15N/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11/h3,5-6,8,13H,4,7H2,1-2H3/b6-3-
InChIKeyGDJMBQQWGKOEMM-UTCJRWHESA-N
XLogP3.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole?
The IUPAC name of 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole (CID 167147131) is 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole.
What is the SMILES notation for 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole?
The canonical SMILES for 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole is C/C=C\c1[nH]c2c(c1C)CCC=C2.
What is the InChIKey of 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole?
The InChIKey is GDJMBQQWGKOEMM-UTCJRWHESA-N. The full InChI is InChI=1S/C12H15N/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11/h3,5-6,8,13H,4,7H2,1-2H3/b6-3-.
What are the key properties of 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole?
3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole has a molecular weight of 173.26 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole is sourced from PubChem (CID 167147131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).