N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide

C12H20N2O2 — CID 43594059

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)C1CC=CCC1
InChIInChI=1S/C12H20N2O2/c1-16-11-8-13-7-10(11)14-12(15)9-5-3-2-4-6-9/h2-3,9-11,13H,4-8H2,1H3,(H,14,15)/t9?,10?,11-/m0/s1
InChIKeyRFKONUAJCIEPAW-ILDUYXDCSA-N
MW224.30 g/mol
LogP0.45
Rot. Bonds3

About N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide

N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 43594059) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide
PubChem CID43594059
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)C1CC=CCC1
InChIInChI=1S/C12H20N2O2/c1-16-11-8-13-7-10(11)14-12(15)9-5-3-2-4-6-9/h2-3,9-11,13H,4-8H2,1H3,(H,14,15)/t9?,10?,11-/m0/s1
InChIKeyRFKONUAJCIEPAW-ILDUYXDCSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.45
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]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide (CID 43594059) is N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide is CO[C@H]1CNCC1NC(=O)C1CC=CCC1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is RFKONUAJCIEPAW-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-11-8-13-7-10(11)14-12(15)9-5-3-2-4-6-9/h2-3,9-11,13H,4-8H2,1H3,(H,14,15)/t9?,10?,11-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.45, 3 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]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43594059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).