4-(9H-carbazol-3-yl)but-3-ynamide

C16H12N2O — CID 170474017

IUPAC4-(9H-carbazol-3-yl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H12N2O/c17-16(19)7-3-4-11-8-9-15-13(10-11)12-5-1-2-6-14(12)18-15/h1-2,5-6,8-10,18H,7H2,(H2,17,19)
InChIKeyJJLSIMOFPWBJSN-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.55
Rot. Bonds1

About 4-(9H-carbazol-3-yl)but-3-ynamide

4-(9H-carbazol-3-yl)but-3-ynamide (PubChem CID 170474017) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(9H-carbazol-3-yl)but-3-ynamide.

Molecular Properties

Compound Name4-(9H-carbazol-3-yl)but-3-ynamide
PubChem CID170474017
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name4-(9H-carbazol-3-yl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H12N2O/c17-16(19)7-3-4-11-8-9-15-13(10-11)12-5-1-2-6-14(12)18-15/h1-2,5-6,8-10,18H,7H2,(H2,17,19)
InChIKeyJJLSIMOFPWBJSN-UHFFFAOYSA-N
XLogP2.55
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazole-3-carbonitrile
CID 21107343
4-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-3-ynamide
CID 170473248
9H-carbazole-3-carbonitrile;hydrochloride
CID 153357556
4-(3-formyl-1H-indol-6-yl)but-3-ynamide
CID 170473819
4-(4-amino-3-bromophenyl)but-3-ynamide
CID 170474119
2,2-bis(9H-carbazol-3-yl)acetamide
CID 171509526
4-(3-anilinophenyl)but-3-ynamide
CID 170474005
4-(4-chlorophenyl)but-3-ynamide
CID 170472446
9H-carbazole;carbonic acid
CID 67577328
4-phenanthren-9-ylbut-3-ynamide
CID 170474048
4-(4-amino-3-ethylphenyl)but-3-ynamide
CID 170473064
4-(3-bromo-4-methylphenyl)but-3-ynamide
CID 170474096

Frequently Asked Questions

What is the IUPAC name of 4-(9H-carbazol-3-yl)but-3-ynamide?
The IUPAC name of 4-(9H-carbazol-3-yl)but-3-ynamide (CID 170474017) is 4-(9H-carbazol-3-yl)but-3-ynamide.
What is the SMILES notation for 4-(9H-carbazol-3-yl)but-3-ynamide?
The canonical SMILES for 4-(9H-carbazol-3-yl)but-3-ynamide is NC(=O)CC#Cc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 4-(9H-carbazol-3-yl)but-3-ynamide?
The InChIKey is JJLSIMOFPWBJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-16(19)7-3-4-11-8-9-15-13(10-11)12-5-1-2-6-14(12)18-15/h1-2,5-6,8-10,18H,7H2,(H2,17,19).
What are the key properties of 4-(9H-carbazol-3-yl)but-3-ynamide?
4-(9H-carbazol-3-yl)but-3-ynamide has a molecular weight of 248.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-carbazol-3-yl)but-3-ynamide is sourced from PubChem (CID 170474017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).