2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol

C14H19NO — CID 105471672

IUPAC2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CC(CN1CCCC1)C2
InChIInChI=1S/C14H19NO/c16-14-5-3-4-12-8-11(9-13(12)14)10-15-6-1-2-7-15/h3-5,11,16H,1-2,6-10H2
InChIKeyMTJPSJQJVXNBGC-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.20
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol

2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol (PubChem CID 105471672) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol
PubChem CID105471672
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CC(CN1CCCC1)C2
InChIInChI=1S/C14H19NO/c16-14-5-3-4-12-8-11(9-13(12)14)10-15-6-1-2-7-15/h3-5,11,16H,1-2,6-10H2
InChIKeyMTJPSJQJVXNBGC-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-inden-4-ol
CID 10242773
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine
CID 105491692
N-(2,3-dihydro-1H-inden-2-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 106892883
1'-(cyclopropylmethyl)spiro[9H-anthracene-10,4'-piperidine]-1-ol
CID 86733946
1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-ol
CID 157039249
6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105471652
(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol
CID 58393646
2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 145380029
(3aR,9aS)-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indol-5-ol
CID 10036887
(3aS,9aS)-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indol-5-ol
CID 11776081

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol (CID 105471672) is 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CC(CN1CCCC1)C2.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is MTJPSJQJVXNBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-5-3-4-12-8-11(9-13(12)14)10-15-6-1-2-7-15/h3-5,11,16H,1-2,6-10H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol?
2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 217.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 105471672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).