N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide

C8H13NO2 — CID 118043453

IUPACN-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1COC[C@@H]1C
InChIInChI=1S/C8H13NO2/c1-3-8(10)9-7-5-11-4-6(7)2/h3,6-7H,1,4-5H2,2H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyVVEIWXVKWFCTBI-NKWVEPMBSA-N
MW155.20 g/mol
LogP0.32
Rot. Bonds2

About N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide

N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide (PubChem CID 118043453) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide
PubChem CID118043453
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1COC[C@@H]1C
InChIInChI=1S/C8H13NO2/c1-3-8(10)9-7-5-11-4-6(7)2/h3,6-7H,1,4-5H2,2H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyVVEIWXVKWFCTBI-NKWVEPMBSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxybutan-2-yl)prop-2-enamide
CID 14419449
N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
CID 58186140
N-[(oxolan-3-yl)methyl]prop-2-enamide
CID 60921012
N-(oxolan-3-yl)prop-2-enamide
CID 80717090
N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide
CID 88937389
N-[(3R,4S)-4-aminooxolan-3-yl]prop-2-enamide
CID 90426322
N-((3S,4R)-4-aminotetrahydrofuran-3-yl)acrylamide
CID 90457526
2-methyl-N-[4-(prop-2-enoylamino)oxolan-3-yl]propanamide
CID 117611102
N-(4-iodooxolan-3-yl)prop-2-enamide
CID 117611217
N-(4-acetamidooxolan-3-yl)prop-2-enamide
CID 118606284
N-[(3R,4S)-4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide
CID 118885976
N-[4-(propan-2-ylamino)oxolan-3-yl]prop-2-enamide
CID 118885993

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide?
The IUPAC name of N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide (CID 118043453) is N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide?
The canonical SMILES for N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide is C=CC(=O)N[C@@H]1COC[C@@H]1C.
What is the InChIKey of N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide?
The InChIKey is VVEIWXVKWFCTBI-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-8(10)9-7-5-11-4-6(7)2/h3,6-7H,1,4-5H2,2H3,(H,9,10)/t6-,7+/m0/s1.
What are the key properties of N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide?
N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 118043453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).