2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide

C11H13N3O2 — CID 6287184

IUPAC2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide
SMILESC/C(CCc1ccco1)=N\NC(=O)CC#N
InChIInChI=1S/C11H13N3O2/c1-9(13-14-11(15)6-7-12)4-5-10-3-2-8-16-10/h2-3,8H,4-6H2,1H3,(H,14,15)/b13-9+
InChIKeyYDQIQTHUCBSLBD-UKTHLTGXSA-N
MW219.24 g/mol
LogP1.62
Rot. Bonds5

About 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide

2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide (PubChem CID 6287184) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide
PubChem CID6287184
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide
SMILESC/C(CCc1ccco1)=N\NC(=O)CC#N
InChIInChI=1S/C11H13N3O2/c1-9(13-14-11(15)6-7-12)4-5-10-3-2-8-16-10/h2-3,8H,4-6H2,1H3,(H,14,15)/b13-9+
InChIKeyYDQIQTHUCBSLBD-UKTHLTGXSA-N
XLogP1.62
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
N-(3-chlorophenyl)-N'-[(E)-4-(furan-2-yl)butan-2-ylideneamino]butanediamide
CID 7308868
2-(3-chloroanilino)-N-[4-(furan-2-yl)butan-2-ylideneamino]acetamide
CID 19579859
N-[4-(furan-2-yl)butan-2-ylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide
CID 4196687
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]-2-[3-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 40518008
2-cyano-N-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]acetamide
CID 4269016
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6250271

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide (CID 6287184) is 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide is C/C(CCc1ccco1)=N\NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide?
The InChIKey is YDQIQTHUCBSLBD-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-9(13-14-11(15)6-7-12)4-5-10-3-2-8-16-10/h2-3,8H,4-6H2,1H3,(H,14,15)/b13-9+.
What are the key properties of 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide?
2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide has a molecular weight of 219.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide is sourced from PubChem (CID 6287184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).