N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C16H18N2O — CID 113203525

IUPACN-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESC=CCNC(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C16H18N2O/c1-2-9-17-16(19)11-7-8-15-13(10-11)12-5-3-4-6-14(12)18-15/h2-6,11,18H,1,7-10H2,(H,17,19)
InChIKeyXRPIDSPBCZAEPI-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.58
Rot. Bonds3

About N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203525) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203525
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESC=CCNC(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C16H18N2O/c1-2-9-17-16(19)11-7-8-15-13(10-11)12-5-3-4-6-14(12)18-15/h2-6,11,18H,1,7-10H2,(H,17,19)
InChIKeyXRPIDSPBCZAEPI-UHFFFAOYSA-N
XLogP2.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203527
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 156776164
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203621
2-(azetidin-3-yl)-3-oxo-3-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 87644132
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 59626250
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
N-(3-chloro-2-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203629

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203525) is N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is C=CCNC(=O)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is XRPIDSPBCZAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-9-17-16(19)11-7-8-15-13(10-11)12-5-3-4-6-14(12)18-15/h2-6,11,18H,1,7-10H2,(H,17,19).
What are the key properties of N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).