2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol

C13H24N2O — CID 63151120

IUPAC2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
SMILESOC1CCCC1N1CCCN2CCCC2C1
InChIInChI=1S/C13H24N2O/c16-13-6-1-5-12(13)15-9-3-8-14-7-2-4-11(14)10-15/h11-13,16H,1-10H2
InChIKeyRNLOLUQOGOYNCN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.07
Rot. Bonds1

About 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol

2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol (PubChem CID 63151120) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
PubChem CID63151120
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
SMILESOC1CCCC1N1CCCN2CCCC2C1
InChIInChI=1S/C13H24N2O/c16-13-6-1-5-12(13)15-9-3-8-14-7-2-4-11(14)10-15/h11-13,16H,1-10H2
InChIKeyRNLOLUQOGOYNCN-UHFFFAOYSA-N
XLogP1.07
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol with MolForge

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Related Compounds

(6R)-6-pyrrolidin-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932220
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
2-(2-methylcyclohexyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79931642
1-(2-hydroxycyclopentyl)piperidine-3-carboxamide
CID 60712103
1-[(1R,2R)-2-hydroxycyclopentyl]piperidin-4-ol
CID 102734322
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
CID 115278432
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol
CID 79942978
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol
CID 66195786

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol (CID 63151120) is 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol is OC1CCCC1N1CCCN2CCCC2C1.
What is the InChIKey of 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol?
The InChIKey is RNLOLUQOGOYNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13-6-1-5-12(13)15-9-3-8-14-7-2-4-11(14)10-15/h11-13,16H,1-10H2.
What are the key properties of 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol?
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 63151120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).