N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide

C20H21N3O — CID 22223551

IUPACN-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide
SMILESC=C1CNC(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1
InChIInChI=1S/C20H21N3O/c1-3-23-18-7-5-4-6-15(18)16-11-14(8-9-19(16)23)22-20(24)17-10-13(2)12-21-17/h4-9,11,17,21H,2-3,10,12H2,1H3,(H,22,24)
InChIKeyGBMBYWGODHEYLR-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.67
Rot. Bonds3

About N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide

N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide (PubChem CID 22223551) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide
PubChem CID22223551
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide
SMILESC=C1CNC(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1
InChIInChI=1S/C20H21N3O/c1-3-23-18-7-5-4-6-15(18)16-11-14(8-9-19(16)23)22-20(24)17-10-13(2)12-21-17/h4-9,11,17,21H,2-3,10,12H2,1H3,(H,22,24)
InChIKeyGBMBYWGODHEYLR-UHFFFAOYSA-N
XLogP3.67
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 87752450
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
(2S)-N-(9-ethylcarbazol-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119262851
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551
(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120782901
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-2-(oxiran-2-ylmethylamino)acetamide
CID 22458845
(3R)-N-(9-ethylcarbazol-3-yl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 52909261
N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 10151399
(3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917345

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide (CID 22223551) is N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide is C=C1CNC(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide?
The InChIKey is GBMBYWGODHEYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-23-18-7-5-4-6-15(18)16-11-14(8-9-19(16)23)22-20(24)17-10-13(2)12-21-17/h4-9,11,17,21H,2-3,10,12H2,1H3,(H,22,24).
What are the key properties of N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide?
N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide is sourced from PubChem (CID 22223551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).