[6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone

C26H34N2O2 — CID 70900638

IUPAC[6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone
SMILESCCN(CC)CCN1C2=CC=C(C(=O)C3CC3)CC2C2=C1C=CC(C(=O)C1CC1)C2
InChIInChI=1S/C26H34N2O2/c1-3-27(4-2)13-14-28-23-11-9-19(25(29)17-5-6-17)15-21(23)22-16-20(10-12-24(22)28)26(30)18-7-8-18/h9-12,17-19,22H,3-8,13-16H2,1-2H3
InChIKeyMMCOUFPEKXNBJJ-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.26
Rot. Bonds9

About [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone

[6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone (PubChem CID 70900638) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone
PubChem CID70900638
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name[6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone
SMILESCCN(CC)CCN1C2=CC=C(C(=O)C3CC3)CC2C2=C1C=CC(C(=O)C1CC1)C2
InChIInChI=1S/C26H34N2O2/c1-3-27(4-2)13-14-28-23-11-9-19(25(29)17-5-6-17)15-21(23)22-16-20(10-12-24(22)28)26(30)18-7-8-18/h9-12,17-19,22H,3-8,13-16H2,1-2H3
InChIKeyMMCOUFPEKXNBJJ-UHFFFAOYSA-N
XLogP4.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone?
The IUPAC name of [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone (CID 70900638) is [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone?
The canonical SMILES for [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone is CCN(CC)CCN1C2=CC=C(C(=O)C3CC3)CC2C2=C1C=CC(C(=O)C1CC1)C2.
What is the InChIKey of [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone?
The InChIKey is MMCOUFPEKXNBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-3-27(4-2)13-14-28-23-11-9-19(25(29)17-5-6-17)15-21(23)22-16-20(10-12-24(22)28)26(30)18-7-8-18/h9-12,17-19,22H,3-8,13-16H2,1-2H3.
What are the key properties of [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone?
[6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone has a molecular weight of 406.57 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 70900638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).