N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide

C15H26N2O2 — CID 11369143

IUPACN-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C15H26N2O2/c1-2-3-4-5-6-7-8-9-10-14(18)17-13-11-12-16-15(13)19/h2,13H,1,3-12H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyRUDNCESWKJHJAZ-ZDUSSCGKSA-N
MW266.38 g/mol
LogP2.30
Rot. Bonds10

About N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide

N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide (PubChem CID 11369143) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide.

Molecular Properties

Compound NameN-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide
PubChem CID11369143
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C15H26N2O2/c1-2-3-4-5-6-7-8-9-10-14(18)17-13-11-12-16-15(13)19/h2,13H,1,3-12H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyRUDNCESWKJHJAZ-ZDUSSCGKSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide?
The IUPAC name of N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide (CID 11369143) is N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide.
What is the SMILES notation for N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide?
The canonical SMILES for N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide is C=CCCCCCCCCC(=O)N[C@H]1CCNC1=O.
What is the InChIKey of N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide?
The InChIKey is RUDNCESWKJHJAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-4-5-6-7-8-9-10-14(18)17-13-11-12-16-15(13)19/h2,13H,1,3-12H2,(H,16,19)(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide?
N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide has a molecular weight of 266.38 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxopyrrolidin-3-yl]undec-10-enamide is sourced from PubChem (CID 11369143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).