(5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide

C10H17NO2 — CID 135042125

IUPAC(5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
SMILESCN(C)C(=O)C1C/C=C\CCCO1
InChIInChI=1S/C10H17NO2/c1-11(2)10(12)9-7-5-3-4-6-8-13-9/h3,5,9H,4,6-8H2,1-2H3/b5-3-
InChIKeyDTULUPQIEDKAOB-HYXAFXHYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds1

About (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide

(5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide (PubChem CID 135042125) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide.

Molecular Properties

Compound Name(5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
PubChem CID135042125
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
SMILESCN(C)C(=O)C1C/C=C\CCCO1
InChIInChI=1S/C10H17NO2/c1-11(2)10(12)9-7-5-3-4-6-8-13-9/h3,5,9H,4,6-8H2,1-2H3/b5-3-
InChIKeyDTULUPQIEDKAOB-HYXAFXHYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5Z,8R)-2-ethyl-3-hydroxy-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
CID 102029105
(2R,3S,5Z,8S)-3-bromo-2-ethyl-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
CID 138976403
(2S,3R,5Z,8R)-3-bromo-2-ethyl-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
CID 139121275
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide
CID 154698918
N,N-dimethyl-3,6-dihydro-2H-pyran-2-carboxamide
CID 173899261
(E)-2-methoxy-N,N,7-trimethyloct-4-enamide
CID 14570362
(E)-N,N,7-trimethyl-2-[(2-methylpropan-2-yl)oxy]oct-4-enamide
CID 14570363
(2R,3S,5Z,8R)-3-bromo-2-ethyl-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
CID 25228068

Frequently Asked Questions

What is the IUPAC name of (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide?
The IUPAC name of (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide (CID 135042125) is (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide.
What is the SMILES notation for (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide?
The canonical SMILES for (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide is CN(C)C(=O)C1C/C=C\CCCO1.
What is the InChIKey of (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide?
The InChIKey is DTULUPQIEDKAOB-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11(2)10(12)9-7-5-3-4-6-8-13-9/h3,5,9H,4,6-8H2,1-2H3/b5-3-.
What are the key properties of (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide?
(5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N,N-dimethyl-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide is sourced from PubChem (CID 135042125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).