N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C16H16N2O — CID 18109932

IUPACN-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC#CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C16H16N2O/c1-2-9-17-16(19)11-7-8-15-13(10-11)12-5-3-4-6-14(12)18-15/h1,7-8,10,18H,3-6,9H2,(H,17,19)
InChIKeyLJROUTPNWSQHLL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.41
Rot. Bonds2

About N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 18109932) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID18109932
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC#CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C16H16N2O/c1-2-9-17-16(19)11-7-8-15-13(10-11)12-5-3-4-6-14(12)18-15/h1,7-8,10,18H,3-6,9H2,(H,17,19)
InChIKeyLJROUTPNWSQHLL-UHFFFAOYSA-N
XLogP2.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
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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Related Compounds

N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43064788
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
N-[2-(furan-2-yl)-2-hydroxypropyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 111482489
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-[3-(2-hydroxyethoxy)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110023973
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 51185250
methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate
CID 71931226

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 18109932) is N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is C#CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is LJROUTPNWSQHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-9-17-16(19)11-7-8-15-13(10-11)12-5-3-4-6-14(12)18-15/h1,7-8,10,18H,3-6,9H2,(H,17,19).
What are the key properties of N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 18109932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).