(2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide

C13H21NO2 — CID 897050

IUPAC(2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)[C@@H]1CCCO1
InChIInChI=1S/C13H21NO2/c15-13(12-7-4-10-16-12)14-9-8-11-5-2-1-3-6-11/h5,12H,1-4,6-10H2,(H,14,15)/t12-/m0/s1
InChIKeyYYQYPYRDMLPRAU-LBPRGKRZSA-N
MW223.32 g/mol
LogP2.17
Rot. Bonds4

About (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide

(2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide (PubChem CID 897050) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide
PubChem CID897050
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)[C@@H]1CCCO1
InChIInChI=1S/C13H21NO2/c15-13(12-7-4-10-16-12)14-9-8-11-5-2-1-3-6-11/h5,12H,1-4,6-10H2,(H,14,15)/t12-/m0/s1
InChIKeyYYQYPYRDMLPRAU-LBPRGKRZSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3416847
N-[2-(cyclohex-1-en-1-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 2931598
(2R,5R)-5-methyl-N-[(Z)-6-methyldec-7-enyl]oxolane-2-carboxamide
CID 164099214
N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226623
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7299867
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7299868
(2R)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide
CID 7405931
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7406205
N-[2-(cyclohexen-1-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 7406206
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7406211
N-[2-(cyclohexen-1-yl)ethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7406212
N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 42919634

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide (CID 897050) is (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide is O=C(NCCC1=CCCCC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is YYQYPYRDMLPRAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(12-7-4-10-16-12)14-9-8-11-5-2-1-3-6-11/h5,12H,1-4,6-10H2,(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide?
(2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexen-1-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 897050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).