7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole

C19H23N — CID 137400177

IUPAC7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole
SMILESC=C(C)c1cc2c(cc1C)N(C(C)C)C1=CC=CCC12
InChIInChI=1S/C19H23N/c1-12(2)16-11-17-15-8-6-7-9-18(15)20(13(3)4)19(17)10-14(16)5/h6-7,9-11,13,15H,1,8H2,2-5H3
InChIKeyHLSKPWLYEVMOPY-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.18
Rot. Bonds2

About 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole

7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole (PubChem CID 137400177) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole.

Molecular Properties

Compound Name7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole
PubChem CID137400177
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole
SMILESC=C(C)c1cc2c(cc1C)N(C(C)C)C1=CC=CCC12
InChIInChI=1S/C19H23N/c1-12(2)16-11-17-15-8-6-7-9-18(15)20(13(3)4)19(17)10-14(16)5/h6-7,9-11,13,15H,1,8H2,2-5H3
InChIKeyHLSKPWLYEVMOPY-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole?
The IUPAC name of 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole (CID 137400177) is 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole.
What is the SMILES notation for 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole?
The canonical SMILES for 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole is C=C(C)c1cc2c(cc1C)N(C(C)C)C1=CC=CCC12.
What is the InChIKey of 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole?
The InChIKey is HLSKPWLYEVMOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-12(2)16-11-17-15-8-6-7-9-18(15)20(13(3)4)19(17)10-14(16)5/h6-7,9-11,13,15H,1,8H2,2-5H3.
What are the key properties of 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole?
7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole has a molecular weight of 265.40 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole is sourced from PubChem (CID 137400177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).