benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone

C17H24N2O3 — CID 174487902

IUPACbenzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCCC1.O=COCc1ccccc1
InChIInChI=1S/C9H16N2O.C8H8O2/c12-9(8-4-3-5-10-8)11-6-1-2-7-11;9-7-10-6-8-4-2-1-3-5-8/h8,10H,1-7H2;1-5,7H,6H2/t8-;/m1./s1
InChIKeyAHVKAMWIHFSHGW-DDWIOCJRSA-N
MW304.39 g/mol
LogP1.72
Rot. Bonds4

About benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone

benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 174487902) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namebenzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID174487902
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namebenzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCCC1.O=COCc1ccccc1
InChIInChI=1S/C9H16N2O.C8H8O2/c12-9(8-4-3-5-10-8)11-6-1-2-7-11;9-7-10-6-8-4-2-1-3-5-8/h8,10H,1-7H2;1-5,7H,6H2/t8-;/m1./s1
InChIKeyAHVKAMWIHFSHGW-DDWIOCJRSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
CID 142544964
benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate
CID 67755202
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
3-phenyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119306810
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187
benzyl formate;2-methylazetidine
CID 159394402
benzyl formate;1-methylpyrrolidine;2-oxopropanal
CID 142105796
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119336588
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
(2S)-3-phenyl-2-[[1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carbonyl]amino]propanoic acid
CID 6353078

Frequently Asked Questions

What is the IUPAC name of benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone (CID 174487902) is benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1)N1CCCC1.O=COCc1ccccc1.
What is the InChIKey of benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is AHVKAMWIHFSHGW-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H16N2O.C8H8O2/c12-9(8-4-3-5-10-8)11-6-1-2-7-11;9-7-10-6-8-4-2-1-3-5-8/h8,10H,1-7H2;1-5,7H,6H2/t8-;/m1./s1.
What are the key properties of benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone?
benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 174487902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).