1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol

C18H23NO — CID 79097101

IUPAC1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H23NO/c1-13(2)18(20)17-8-9-19(12-17)11-14-6-7-15-4-3-5-16(15)10-14/h6-10,12-13,18,20H,3-5,11H2,1-2H3
InChIKeyLWNZBQLVHVMVTG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.71
Rot. Bonds4

About 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol

1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol (PubChem CID 79097101) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
PubChem CID79097101
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H23NO/c1-13(2)18(20)17-8-9-19(12-17)11-14-6-7-15-4-3-5-16(15)10-14/h6-10,12-13,18,20H,3-5,11H2,1-2H3
InChIKeyLWNZBQLVHVMVTG-UHFFFAOYSA-N
XLogP3.71
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
CID 79097185
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
2-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097859
1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097594
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
1-[1-[(4-tert-butylphenyl)methyl]pyrrol-3-yl]ethanol
CID 79107076
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
(1R,2R)-2-(propan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 7047598
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropyl]ethanol
CID 106798252

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol (CID 79097101) is 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol is CC(C)C(O)c1ccn(Cc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The InChIKey is LWNZBQLVHVMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)18(20)17-8-9-19(12-17)11-14-6-7-15-4-3-5-16(15)10-14/h6-10,12-13,18,20H,3-5,11H2,1-2H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 79097101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).