2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide

C12H21NO2 — CID 103522052

IUPAC2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H21NO2/c1-3-4-5-9-13-11(14)10-12(15-2)7-6-8-12/h3-4H,5-10H2,1-2H3,(H,13,14)/b4-3+
InChIKeyMMJFJEWIHATVIF-ONEGZZNKSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds6

About 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide

2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide (PubChem CID 103522052) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide
PubChem CID103522052
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H21NO2/c1-3-4-5-9-13-11(14)10-12(15-2)7-6-8-12/h3-4H,5-10H2,1-2H3,(H,13,14)/b4-3+
InChIKeyMMJFJEWIHATVIF-ONEGZZNKSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
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

3-methoxy-N-(3-methylbutan-2-yl)oct-6-enamide
CID 123929607
3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide;molecular hydrogen
CID 178010453
3-methoxy-3-methyl-N-[(E)-pent-3-enyl]butanamide
CID 103021025
2-(1-methoxycyclobutyl)-N-prop-2-enylacetamide
CID 103517377
2-(1-methoxycyclobutyl)-N-(2-methylprop-2-enyl)acetamide
CID 103527009
N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557079
N-but-3-enyl-2-(1-methoxycyclobutyl)acetamide
CID 103557167
N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557389
2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 103557398
2-cyclobutyl-N-[(E)-pent-3-enyl]acetamide
CID 103707508
2-(1-methoxycyclobutyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486968
3-methoxy-N-[(E)-4-methylpent-2-enyl]hexanamide
CID 178010454

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide (CID 103522052) is 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide is C/C=C/CCNC(=O)CC1(OC)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide?
The InChIKey is MMJFJEWIHATVIF-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-5-9-13-11(14)10-12(15-2)7-6-8-12/h3-4H,5-10H2,1-2H3,(H,13,14)/b4-3+.
What are the key properties of 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide?
2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide has a molecular weight of 211.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N-[(E)-pent-3-enyl]acetamide is sourced from PubChem (CID 103522052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).