cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone

C13H22N2O2 — CID 64766485

IUPACcyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCCN(CCO)CC1
InChIInChI=1S/C13H22N2O2/c16-11-10-14-6-3-7-15(9-8-14)13(17)12-4-1-2-5-12/h1-2,12,16H,3-11H2
InChIKeyYGMPZEZDNWHVPO-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.48
Rot. Bonds3

About cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone

cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 64766485) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
PubChem CID64766485
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namecyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CCCN(CCO)CC1
InChIInChI=1S/C13H22N2O2/c16-11-10-14-6-3-7-15(9-8-14)13(17)12-4-1-2-5-12/h1-2,12,16H,3-11H2
InChIKeyYGMPZEZDNWHVPO-UHFFFAOYSA-N
XLogP0.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
1-[4-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 63308410
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 63309841
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200728
4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 78942634
[4-(2-hydroxyethyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
CID 110903689
[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone (CID 64766485) is cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone is O=C(C1CC=CC1)N1CCCN(CCO)CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is YGMPZEZDNWHVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-11-10-14-6-3-7-15(9-8-14)13(17)12-4-1-2-5-12/h1-2,12,16H,3-11H2.
What are the key properties of cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone?
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 238.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 64766485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).