N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide

C10H18N2O2 — CID 62680069

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide
SMILESC=CCCC(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C10H18N2O2/c1-3-4-5-10(13)12-8-6-11-7-9(8)14-2/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyUEHCEMFVPRPTPX-GKAPJAKFSA-N
MW198.27 g/mol
LogP0.06
Rot. Bonds5

About N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide

N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide (PubChem CID 62680069) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide
PubChem CID62680069
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide
SMILESC=CCCC(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C10H18N2O2/c1-3-4-5-10(13)12-8-6-11-7-9(8)14-2/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyUEHCEMFVPRPTPX-GKAPJAKFSA-N
XLogP0.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide (CID 62680069) is N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide is C=CCCC(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide?
The InChIKey is UEHCEMFVPRPTPX-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-5-10(13)12-8-6-11-7-9(8)14-2/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]pent-4-enamide is sourced from PubChem (CID 62680069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).