N-prop-2-enyloxolane-2-carboxamide

C8H13NO2 — CID 4577317

IUPACN-prop-2-enyloxolane-2-carboxamide
SMILESC=CCNC(=O)C1CCCO1
InChIInChI=1S/C8H13NO2/c1-2-5-9-8(10)7-4-3-6-11-7/h2,7H,1,3-6H2,(H,9,10)
InChIKeyUBDWJWMXWXXMHJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds3

About N-prop-2-enyloxolane-2-carboxamide

N-prop-2-enyloxolane-2-carboxamide (PubChem CID 4577317) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-prop-2-enyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyloxolane-2-carboxamide
PubChem CID4577317
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-prop-2-enyloxolane-2-carboxamide
SMILESC=CCNC(=O)C1CCCO1
InChIInChI=1S/C8H13NO2/c1-2-5-9-8(10)7-4-3-6-11-7/h2,7H,1,3-6H2,(H,9,10)
InChIKeyUBDWJWMXWXXMHJ-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
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-[(Oxolan-2-yl)methyl]prop-2-enamide
CID 15332973
N-Propyltetrahydrofuran-2-carboxamide
CID 4054933
(2S,5R)-5-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 120789744
N-(2-fluoroethyl)oxolane-2-carboxamide
CID 126990906
(2S)-N-(2-fluoroethyl)oxolane-2-carboxamide
CID 130715022
N-[3-(propan-2-yloxy)propyl]tetrahydrofuran-2-carboxamide
CID 2970931
N-ethyloxolane-2-carboxamide
CID 3254618
N-propan-2-yloxolane-2-carboxamide
CID 3460839
N-pentyloxolane-2-carboxamide
CID 3502062
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
N-butyloxolane-2-carboxamide
CID 5081726
N-(3-aminopropyl)oxolane-2-carboxamide
CID 24711806

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyloxolane-2-carboxamide?
The IUPAC name of N-prop-2-enyloxolane-2-carboxamide (CID 4577317) is N-prop-2-enyloxolane-2-carboxamide.
What is the SMILES notation for N-prop-2-enyloxolane-2-carboxamide?
The canonical SMILES for N-prop-2-enyloxolane-2-carboxamide is C=CCNC(=O)C1CCCO1.
What is the InChIKey of N-prop-2-enyloxolane-2-carboxamide?
The InChIKey is UBDWJWMXWXXMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-5-9-8(10)7-4-3-6-11-7/h2,7H,1,3-6H2,(H,9,10).
What are the key properties of N-prop-2-enyloxolane-2-carboxamide?
N-prop-2-enyloxolane-2-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyloxolane-2-carboxamide is sourced from PubChem (CID 4577317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).