pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate

C19H28N2O5 — CID 91721216

IUPACpentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESC#CCOC(=O)N1CCCC1C(=O)N1CCCC1C(=O)OCCCCC
InChIInChI=1S/C19H28N2O5/c1-3-5-6-14-25-18(23)16-10-8-11-20(16)17(22)15-9-7-12-21(15)19(24)26-13-4-2/h2,15-16H,3,5-14H2,1H3
InChIKeyVAAAIOZYUKWWQM-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.95
Rot. Bonds7

About pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate

pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 91721216) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID91721216
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namepentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESC#CCOC(=O)N1CCCC1C(=O)N1CCCC1C(=O)OCCCCC
InChIInChI=1S/C19H28N2O5/c1-3-5-6-14-25-18(23)16-10-8-11-20(16)17(22)15-9-7-12-21(15)19(24)26-13-4-2/h2,15-16H,3,5-14H2,1H3
InChIKeyVAAAIOZYUKWWQM-UHFFFAOYSA-N
XLogP1.95
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-O-pentyl 1-O-prop-2-ynyl piperidine-1,2-dicarboxylate
CID 91724311
2-O-decyl 1-O-prop-2-ynyl piperidine-1,2-dicarboxylate
CID 91724315
1-O-prop-2-ynyl 2-O-undecyl piperidine-1,2-dicarboxylate
CID 91724316
bis(prop-2-ynyl) pyrrolidine-1,2-dicarboxylate
CID 91721202
pentyl 1-[1-(2-chloroethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91726883
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
1-O-butyl 2-O-tetradecyl piperidine-1,2-dicarboxylate
CID 91728540
2-O-octyl 1-O-propyl piperidine-1,2-dicarboxylate
CID 91725615
1-O-(2-methoxyethyl) 2-O-octadecyl pyrrolidine-1,2-dicarboxylate
CID 91725946
hexyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 91695515
2-O-hexyl 1-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20836886
1-O-(2-methylpropyl) 2-O-octadecyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837289

Frequently Asked Questions

What is the IUPAC name of pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate (CID 91721216) is pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate is C#CCOC(=O)N1CCCC1C(=O)N1CCCC1C(=O)OCCCCC.
What is the InChIKey of pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is VAAAIOZYUKWWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-3-5-6-14-25-18(23)16-10-8-11-20(16)17(22)15-9-7-12-21(15)19(24)26-13-4-2/h2,15-16H,3,5-14H2,1H3.
What are the key properties of pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate?
pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91721216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).