(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate

C23H29N3O2 — CID 19600940

IUPAC(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate
SMILESCc1ccc(N(C)C(=O)Oc2ccc3c(c2)C2(C)CCN(C)C2N3C)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-15-7-9-19(16(2)13-15)26(6)22(27)28-17-8-10-20-18(14-17)23(3)11-12-24(4)21(23)25(20)5/h7-10,13-14,21H,11-12H2,1-6H3
InChIKeyORYWLKQYMJNNHR-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.31
Rot. Bonds2

About (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate

(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate (PubChem CID 19600940) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Name(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate
PubChem CID19600940
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate
SMILESCc1ccc(N(C)C(=O)Oc2ccc3c(c2)C2(C)CCN(C)C2N3C)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-15-7-9-19(16(2)13-15)26(6)22(27)28-17-8-10-20-18(14-17)23(3)11-12-24(4)21(23)25(20)5/h7-10,13-14,21H,11-12H2,1-6H3
InChIKeyORYWLKQYMJNNHR-UHFFFAOYSA-N
XLogP4.31
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate?
The IUPAC name of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate (CID 19600940) is (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate.
What is the SMILES notation for (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate?
The canonical SMILES for (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate is Cc1ccc(N(C)C(=O)Oc2ccc3c(c2)C2(C)CCN(C)C2N3C)c(C)c1.
What is the InChIKey of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate?
The InChIKey is ORYWLKQYMJNNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15-7-9-19(16(2)13-15)26(6)22(27)28-17-8-10-20-18(14-17)23(3)11-12-24(4)21(23)25(20)5/h7-10,13-14,21H,11-12H2,1-6H3.
What are the key properties of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate?
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate has a molecular weight of 379.50 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-(2,4-dimethylphenyl)-N-methylcarbamate is sourced from PubChem (CID 19600940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).