5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one

C19H27N3O4 — CID 110201454

IUPAC5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccoc2)CCCCCCN1
InChIInChI=1S/C19H27N3O4/c23-17-7-12-21(10-4-2-1-3-9-20-17)19(25)16-6-5-11-22(16)18(24)15-8-13-26-14-15/h8,13-14,16H,1-7,9-12H2,(H,20,23)/t16-/m0/s1
InChIKeyPROLDODYNNNXQQ-INIZCTEOSA-N
MW361.44 g/mol
LogP1.79
Rot. Bonds2

About 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one

5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201454) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201454
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccoc2)CCCCCCN1
InChIInChI=1S/C19H27N3O4/c23-17-7-12-21(10-4-2-1-3-9-20-17)19(25)16-6-5-11-22(16)18(24)15-8-13-26-14-15/h8,13-14,16H,1-7,9-12H2,(H,20,23)/t16-/m0/s1
InChIKeyPROLDODYNNNXQQ-INIZCTEOSA-N
XLogP1.79
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201454) is 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one is O=C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccoc2)CCCCCCN1.
What is the InChIKey of 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is PROLDODYNNNXQQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O4/c23-17-7-12-21(10-4-2-1-3-9-20-17)19(25)16-6-5-11-22(16)18(24)15-8-13-26-14-15/h8,13-14,16H,1-7,9-12H2,(H,20,23)/t16-/m0/s1.
What are the key properties of 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one?
5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 361.44 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).