4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol

C18H26N2O — CID 112540836

IUPAC4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol
SMILESCC(O)CCc1cn(C)c2cc3c(cc12)CN(C(C)C)C3
InChIInChI=1S/C18H26N2O/c1-12(2)20-10-15-7-17-14(6-5-13(3)21)9-19(4)18(17)8-16(15)11-20/h7-9,12-13,21H,5-6,10-11H2,1-4H3
InChIKeyMNGLTTSYJDPYNF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.22
Rot. Bonds4

About 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol

4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol (PubChem CID 112540836) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol
PubChem CID112540836
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol
SMILESCC(O)CCc1cn(C)c2cc3c(cc12)CN(C(C)C)C3
InChIInChI=1S/C18H26N2O/c1-12(2)20-10-15-7-17-14(6-5-13(3)21)9-19(4)18(17)8-16(15)11-20/h7-9,12-13,21H,5-6,10-11H2,1-4H3
InChIKeyMNGLTTSYJDPYNF-UHFFFAOYSA-N
XLogP3.22
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol?
The IUPAC name of 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol (CID 112540836) is 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol.
What is the SMILES notation for 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol?
The canonical SMILES for 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol is CC(O)CCc1cn(C)c2cc3c(cc12)CN(C(C)C)C3.
What is the InChIKey of 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol?
The InChIKey is MNGLTTSYJDPYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)20-10-15-7-17-14(6-5-13(3)21)9-19(4)18(17)8-16(15)11-20/h7-9,12-13,21H,5-6,10-11H2,1-4H3.
What are the key properties of 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol?
4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol is sourced from PubChem (CID 112540836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).