3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole

C12H17N — CID 166963856

IUPAC3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole
SMILESC/C=C\C1=C(C)C2CCCCC2=N1
InChIInChI=1S/C12H17N/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11/h3,6,10H,4-5,7-8H2,1-2H3/b6-3-
InChIKeyQCGHOJVUNCWWOO-UTCJRWHESA-N
MW175.28 g/mol
LogP3.48
Rot. Bonds1

About 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole

3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole (PubChem CID 166963856) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole.

Molecular Properties

Compound Name3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole
PubChem CID166963856
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole
SMILESC/C=C\C1=C(C)C2CCCCC2=N1
InChIInChI=1S/C12H17N/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11/h3,6,10H,4-5,7-8H2,1-2H3/b6-3-
InChIKeyQCGHOJVUNCWWOO-UTCJRWHESA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole?
The IUPAC name of 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole (CID 166963856) is 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole.
What is the SMILES notation for 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole?
The canonical SMILES for 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole is C/C=C\C1=C(C)C2CCCCC2=N1.
What is the InChIKey of 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole?
The InChIKey is QCGHOJVUNCWWOO-UTCJRWHESA-N. The full InChI is InChI=1S/C12H17N/c1-3-6-11-9(2)10-7-4-5-8-12(10)13-11/h3,6,10H,4-5,7-8H2,1-2H3/b6-3-.
What are the key properties of 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole?
3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole has a molecular weight of 175.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole is sourced from PubChem (CID 166963856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).