[(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate

C16H23N3O2 — CID 46228999

IUPAC[(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@]1(C)N2C
InChIInChI=1S/C16H23N3O2/c1-15-8-9-18(4)16(15,2)19(5)13-7-6-11(10-12(13)15)21-14(20)17-3/h6-7,10H,8-9H2,1-5H3,(H,17,20)/t15-,16+/m0/s1
InChIKeyZVPJJAMHJWQHGT-JKSUJKDBSA-N
MW289.38 g/mol
LogP2.16
Rot. Bonds1

About [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate

[(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate (PubChem CID 46228999) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
PubChem CID46228999
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@]1(C)N2C
InChIInChI=1S/C16H23N3O2/c1-15-8-9-18(4)16(15,2)19(5)13-7-6-11(10-12(13)15)21-14(20)17-3/h6-7,10H,8-9H2,1-5H3,(H,17,20)/t15-,16+/m0/s1
InChIKeyZVPJJAMHJWQHGT-JKSUJKDBSA-N
XLogP2.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
The IUPAC name of [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate (CID 46228999) is [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate.
What is the SMILES notation for [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
The canonical SMILES for [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@]1(C)N2C.
What is the InChIKey of [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
The InChIKey is ZVPJJAMHJWQHGT-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-15-8-9-18(4)16(15,2)19(5)13-7-6-11(10-12(13)15)21-14(20)17-3/h6-7,10H,8-9H2,1-5H3,(H,17,20)/t15-,16+/m0/s1.
What are the key properties of [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
[(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate has a molecular weight of 289.38 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate is sourced from PubChem (CID 46228999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).