9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole

C15H15N — CID 12711910

IUPAC9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole
SMILESC#CCn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C15H15N/c1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h1,3,5,7,9H,4,6,8,10-11H2
InChIKeyYJNXZXJVWQOHSJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.15
Rot. Bonds1

About 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole

9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 12711910) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole
PubChem CID12711910
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole
SMILESC#CCn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C15H15N/c1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h1,3,5,7,9H,4,6,8,10-11H2
InChIKeyYJNXZXJVWQOHSJ-UHFFFAOYSA-N
XLogP3.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole (CID 12711910) is 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole is C#CCn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is YJNXZXJVWQOHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h1,3,5,7,9H,4,6,8,10-11H2.
What are the key properties of 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole?
9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 209.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 12711910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).