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

C8H14N2O2 — CID 118888267

IUPACN-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1COC[C@H]1NC
InChIInChI=1S/C8H14N2O2/c1-3-8(11)10-7-5-12-4-6(7)9-2/h3,6-7,9H,1,4-5H2,2H3,(H,10,11)/t6-,7+/m1/s1
InChIKeyNSBXJDKYEOFQSB-RQJHMYQMSA-N
MW170.21 g/mol
LogP-0.72
Rot. Bonds3

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

N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide (PubChem CID 118888267) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide
PubChem CID118888267
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1COC[C@H]1NC
InChIInChI=1S/C8H14N2O2/c1-3-8(11)10-7-5-12-4-6(7)9-2/h3,6-7,9H,1,4-5H2,2H3,(H,10,11)/t6-,7+/m1/s1
InChIKeyNSBXJDKYEOFQSB-RQJHMYQMSA-N
XLogP-0.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 53787036
N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
CID 58186102
N-(oxolan-3-yl)prop-2-enamide
CID 80717090
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-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide
CID 118043453
N-[(4-methylmorpholin-3-yl)methyl]prop-2-enamide
CID 118137434
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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide?
The IUPAC name of N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide (CID 118888267) is N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide?
The canonical SMILES for N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide is C=CC(=O)N[C@H]1COC[C@H]1NC.
What is the InChIKey of N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide?
The InChIKey is NSBXJDKYEOFQSB-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-8(11)10-7-5-12-4-6(7)9-2/h3,6-7,9H,1,4-5H2,2H3,(H,10,11)/t6-,7+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide?
N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(methylamino)oxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 118888267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).