(E)-N-(3-methoxycyclobutyl)but-2-enamide

C9H15NO2 — CID 104578454

IUPAC(E)-N-(3-methoxycyclobutyl)but-2-enamide
SMILESC/C=C/C(=O)NC1CC(OC)C1
InChIInChI=1S/C9H15NO2/c1-3-4-9(11)10-7-5-8(6-7)12-2/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/b4-3+
InChIKeyQWRPJFKDZUGACJ-ONEGZZNKSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

About (E)-N-(3-methoxycyclobutyl)but-2-enamide

(E)-N-(3-methoxycyclobutyl)but-2-enamide (PubChem CID 104578454) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (E)-N-(3-methoxycyclobutyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methoxycyclobutyl)but-2-enamide
PubChem CID104578454
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(E)-N-(3-methoxycyclobutyl)but-2-enamide
SMILESC/C=C/C(=O)NC1CC(OC)C1
InChIInChI=1S/C9H15NO2/c1-3-4-9(11)10-7-5-8(6-7)12-2/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/b4-3+
InChIKeyQWRPJFKDZUGACJ-ONEGZZNKSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxycyclobutyl)-1,1-dimethylurea
CID 104581744
N-(3-methoxycyclobutyl)-2,2-dimethylpropanamide
CID 104578372
(2S)-2-hydroxy-N-(3-methoxycyclobutyl)propanamide
CID 131069206
(E)-N-(oxan-4-yl)but-2-enamide
CID 118136876
N-(3-methoxycyclobutyl)ethanethioamide
CID 142576151
4-(but-2-enoylamino)cyclohexane-1-carboxylic acid
CID 76880809
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
N-(3-methoxycyclobutyl)-4-oxopentanamide
CID 104600930
(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114120347
2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide
CID 104578369
1-(3-methoxycyclobutyl)-3-methylthiourea
CID 104587614
2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
CID 106110707

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methoxycyclobutyl)but-2-enamide?
The IUPAC name of (E)-N-(3-methoxycyclobutyl)but-2-enamide (CID 104578454) is (E)-N-(3-methoxycyclobutyl)but-2-enamide.
What is the SMILES notation for (E)-N-(3-methoxycyclobutyl)but-2-enamide?
The canonical SMILES for (E)-N-(3-methoxycyclobutyl)but-2-enamide is C/C=C/C(=O)NC1CC(OC)C1.
What is the InChIKey of (E)-N-(3-methoxycyclobutyl)but-2-enamide?
The InChIKey is QWRPJFKDZUGACJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-9(11)10-7-5-8(6-7)12-2/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/b4-3+.
What are the key properties of (E)-N-(3-methoxycyclobutyl)but-2-enamide?
(E)-N-(3-methoxycyclobutyl)but-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methoxycyclobutyl)but-2-enamide is sourced from PubChem (CID 104578454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).