3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole

C15H23N — CID 155237330

IUPAC3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole
SMILESC/C=C\C1=C(C)C2CCC=CC2N1C(C)C
InChIInChI=1S/C15H23N/c1-5-8-14-12(4)13-9-6-7-10-15(13)16(14)11(2)3/h5,7-8,10-11,13,15H,6,9H2,1-4H3/b8-5-
InChIKeyCGMJCRGLNWCZOZ-YVMONPNESA-N
MW217.36 g/mol
LogP3.90
Rot. Bonds2

About 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole

3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole (PubChem CID 155237330) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole
PubChem CID155237330
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole
SMILESC/C=C\C1=C(C)C2CCC=CC2N1C(C)C
InChIInChI=1S/C15H23N/c1-5-8-14-12(4)13-9-6-7-10-15(13)16(14)11(2)3/h5,7-8,10-11,13,15H,6,9H2,1-4H3/b8-5-
InChIKeyCGMJCRGLNWCZOZ-YVMONPNESA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.90
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 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole?
The IUPAC name of 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole (CID 155237330) is 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole.
What is the SMILES notation for 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole?
The canonical SMILES for 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole is C/C=C\C1=C(C)C2CCC=CC2N1C(C)C.
What is the InChIKey of 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole?
The InChIKey is CGMJCRGLNWCZOZ-YVMONPNESA-N. The full InChI is InChI=1S/C15H23N/c1-5-8-14-12(4)13-9-6-7-10-15(13)16(14)11(2)3/h5,7-8,10-11,13,15H,6,9H2,1-4H3/b8-5-.
What are the key properties of 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole?
3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole has a molecular weight of 217.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-2-[(Z)-prop-1-enyl]-3a,4,5,7a-tetrahydroindole is sourced from PubChem (CID 155237330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).