(2R)-N-but-3-enyloxolane-2-carboxamide

C9H15NO2 — CID 104861411

IUPAC(2R)-N-but-3-enyloxolane-2-carboxamide
SMILESC=CCCNC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H15NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h2,8H,1,3-7H2,(H,10,11)/t8-/m1/s1
InChIKeyQRYHQLDGRQPHOJ-MRVPVSSYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds4

About (2R)-N-but-3-enyloxolane-2-carboxamide

(2R)-N-but-3-enyloxolane-2-carboxamide (PubChem CID 104861411) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2R)-N-but-3-enyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-but-3-enyloxolane-2-carboxamide
PubChem CID104861411
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2R)-N-but-3-enyloxolane-2-carboxamide
SMILESC=CCCNC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H15NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h2,8H,1,3-7H2,(H,10,11)/t8-/m1/s1
InChIKeyQRYHQLDGRQPHOJ-MRVPVSSYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-oxolan-2-yl]pent-4-en-1-one
CID 129365967
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-[2-(propylamino)ethyl]oxolane-2-carboxamide
CID 62658997
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
but-3-enyl (2R)-oxolane-2-carboxylate
CID 101466422
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]oxolane-2-carboxamide
CID 108573698
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]oxolane-2-carboxamide
CID 110423404
N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide
CID 63753369
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654

Frequently Asked Questions

What is the IUPAC name of (2R)-N-but-3-enyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-but-3-enyloxolane-2-carboxamide (CID 104861411) is (2R)-N-but-3-enyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-but-3-enyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-but-3-enyloxolane-2-carboxamide is C=CCCNC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-but-3-enyloxolane-2-carboxamide?
The InChIKey is QRYHQLDGRQPHOJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h2,8H,1,3-7H2,(H,10,11)/t8-/m1/s1.
What are the key properties of (2R)-N-but-3-enyloxolane-2-carboxamide?
(2R)-N-but-3-enyloxolane-2-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-but-3-enyloxolane-2-carboxamide is sourced from PubChem (CID 104861411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).