(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide

C18H24N2O — CID 99903505

IUPAC(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC[C@H]1CCCN1c1ccccc1)[C@H]1CC=CCC1
InChIInChI=1S/C18H24N2O/c21-18(15-8-3-1-4-9-15)19-14-17-12-7-13-20(17)16-10-5-2-6-11-16/h1-3,5-6,10-11,15,17H,4,7-9,12-14H2,(H,19,21)/t15-,17+/m0/s1
InChIKeyKOVCNGVLLXXZMS-DOTOQJQBSA-N
MW284.40 g/mol
LogP3.13
Rot. Bonds4

About (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 99903505) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID99903505
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC[C@H]1CCCN1c1ccccc1)[C@H]1CC=CCC1
InChIInChI=1S/C18H24N2O/c21-18(15-8-3-1-4-9-15)19-14-17-12-7-13-20(17)16-10-5-2-6-11-16/h1-3,5-6,10-11,15,17H,4,7-9,12-14H2,(H,19,21)/t15-,17+/m0/s1
InChIKeyKOVCNGVLLXXZMS-DOTOQJQBSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 99903505) is (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NC[C@H]1CCCN1c1ccccc1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is KOVCNGVLLXXZMS-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18(15-8-3-1-4-9-15)19-14-17-12-7-13-20(17)16-10-5-2-6-11-16/h1-3,5-6,10-11,15,17H,4,7-9,12-14H2,(H,19,21)/t15-,17+/m0/s1.
What are the key properties of (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 99903505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).