methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone

C30H41NO2 — CID 143766318

IUPACmethylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone
SMILESC=CCC1CC(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1.CC1CC1
InChIInChI=1S/C26H33NO2.C4H8/c1-3-4-17-13-21(14-17)26(28)20-6-8-25-23(16-20)22-15-19(5-7-24(22)27(25)2)18-9-11-29-12-10-18;1-4-2-3-4/h3,6,8,16-19,21H,1,4-5,7,9-15H2,2H3;4H,2-3H2,1H3
InChIKeyGAZDIWAHYNIDJJ-UHFFFAOYSA-N
MW447.66 g/mol
LogP6.91
Rot. Bonds5

About methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone

methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone (PubChem CID 143766318) has the molecular formula C30H41NO2 and a molecular weight of 447.66 g/mol. Its IUPAC name is methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone.

Molecular Properties

Compound Namemethylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone
PubChem CID143766318
Molecular FormulaC30H41NO2
Molecular Weight447.66 g/mol
Exact Mass447.31
IUPAC Namemethylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone
SMILESC=CCC1CC(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1.CC1CC1
InChIInChI=1S/C26H33NO2.C4H8/c1-3-4-17-13-21(14-17)26(28)20-6-8-25-23(16-20)22-15-19(5-7-24(22)27(25)2)18-9-11-29-12-10-18;1-4-2-3-4/h3,6,8,16-19,21H,1,4-5,7,9-15H2,2H3;4H,2-3H2,1H3
InChIKeyGAZDIWAHYNIDJJ-UHFFFAOYSA-N
XLogP6.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.66
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone?
The IUPAC name of methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone (CID 143766318) is methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone.
What is the SMILES notation for methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone?
The canonical SMILES for methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone is C=CCC1CC(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1.CC1CC1.
What is the InChIKey of methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone?
The InChIKey is GAZDIWAHYNIDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2.C4H8/c1-3-4-17-13-21(14-17)26(28)20-6-8-25-23(16-20)22-15-19(5-7-24(22)27(25)2)18-9-11-29-12-10-18;1-4-2-3-4/h3,6,8,16-19,21H,1,4-5,7,9-15H2,2H3;4H,2-3H2,1H3.
What are the key properties of methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone?
methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone has a molecular weight of 447.66 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopropane;[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazol-3-yl]-(3-prop-2-enylcyclobutyl)methanone is sourced from PubChem (CID 143766318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).