azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone

C11H20N2O2 — CID 28943560

IUPACazepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
SMILESO=C([C@H]1C[C@H](O)CN1)N1CCCCCC1
InChIInChI=1S/C11H20N2O2/c14-9-7-10(12-8-9)11(15)13-5-3-1-2-4-6-13/h9-10,12,14H,1-8H2/t9-,10+/m0/s1
InChIKeyUKWYCBMQWMKPTF-VHSXEESVSA-N
MW212.29 g/mol
LogP0.11
Rot. Bonds1

About azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone

azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone (PubChem CID 28943560) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
PubChem CID28943560
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameazepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
SMILESO=C([C@H]1C[C@H](O)CN1)N1CCCCCC1
InChIInChI=1S/C11H20N2O2/c14-9-7-10(12-8-9)11(15)13-5-3-1-2-4-6-13/h9-10,12,14H,1-8H2/t9-,10+/m0/s1
InChIKeyUKWYCBMQWMKPTF-VHSXEESVSA-N
XLogP0.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-azaspiro[5.5]undecan-2-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 124703429
2-azaspiro[5.5]undecan-2-yl-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 124701635
(4-cyclopentyl-1,4-diazepan-1-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 91603121
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 93375850
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 154914601
(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119877822
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54873709
2-azaspiro[4.5]decan-2-yl-(4-hydroxypyrrolidin-2-yl)methanone
CID 119805335
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone (CID 28943560) is azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone is O=C([C@H]1C[C@H](O)CN1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone?
The InChIKey is UKWYCBMQWMKPTF-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-9-7-10(12-8-9)11(15)13-5-3-1-2-4-6-13/h9-10,12,14H,1-8H2/t9-,10+/m0/s1.
What are the key properties of azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone?
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone is sourced from PubChem (CID 28943560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).