2-prop-1-ynyl-9H-carbazole

C15H11N — CID 170137270

IUPAC2-prop-1-ynyl-9H-carbazole
SMILESCC#Cc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C15H11N/c1-2-5-11-8-9-13-12-6-3-4-7-14(12)16-15(13)10-11/h3-4,6-10,16H,1H3
InChIKeyIRRXDRHKCFHVFT-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.69
Rot. Bonds

About 2-prop-1-ynyl-9H-carbazole

2-prop-1-ynyl-9H-carbazole (PubChem CID 170137270) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-prop-1-ynyl-9H-carbazole.

Molecular Properties

Compound Name2-prop-1-ynyl-9H-carbazole
PubChem CID170137270
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name2-prop-1-ynyl-9H-carbazole
SMILESCC#Cc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C15H11N/c1-2-5-11-8-9-13-12-6-3-4-7-14(12)16-15(13)10-11/h3-4,6-10,16H,1H3
InChIKeyIRRXDRHKCFHVFT-UHFFFAOYSA-N
XLogP3.69
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole
CID 66668984
bromomethane;9H-carbazole
CID 67594562
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
bis(9H-carbazole);propane
CID 90987002
9H-carbazole-3-carbonitrile
CID 21107343
2,7-bis(hex-1-ynyl)-9H-carbazole
CID 165358279
2-triphenylen-2-yl-9H-carbazole
CID 118922949
CID 70460275
CID 70460275

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-ynyl-9H-carbazole?
The IUPAC name of 2-prop-1-ynyl-9H-carbazole (CID 170137270) is 2-prop-1-ynyl-9H-carbazole.
What is the SMILES notation for 2-prop-1-ynyl-9H-carbazole?
The canonical SMILES for 2-prop-1-ynyl-9H-carbazole is CC#Cc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 2-prop-1-ynyl-9H-carbazole?
The InChIKey is IRRXDRHKCFHVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N/c1-2-5-11-8-9-13-12-6-3-4-7-14(12)16-15(13)10-11/h3-4,6-10,16H,1H3.
What are the key properties of 2-prop-1-ynyl-9H-carbazole?
2-prop-1-ynyl-9H-carbazole has a molecular weight of 205.26 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-ynyl-9H-carbazole is sourced from PubChem (CID 170137270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).