N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide

C12H20N4O — CID 145130222

IUPACN-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide
SMILESC/C=C\C=N\C(C)/C(C)=N/NC(=O)N1CCC1
InChIInChI=1S/C12H20N4O/c1-4-5-7-13-10(2)11(3)14-15-12(17)16-8-6-9-16/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,17)/b5-4-,13-7+,14-11+
InChIKeyXHTKTYQBZAFLQW-CABUBAICSA-N
MW236.32 g/mol
LogP1.81
Rot. Bonds4

About N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide

N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide (PubChem CID 145130222) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide
PubChem CID145130222
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide
SMILESC/C=C\C=N\C(C)/C(C)=N/NC(=O)N1CCC1
InChIInChI=1S/C12H20N4O/c1-4-5-7-13-10(2)11(3)14-15-12(17)16-8-6-9-16/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,17)/b5-4-,13-7+,14-11+
InChIKeyXHTKTYQBZAFLQW-CABUBAICSA-N
XLogP1.81
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-propan-2-ylazetidine-1-carboxamide
CID 126972093
N-[(1Z,3E)-penta-1,3-dienyl]pyrrolidine-1-carboxamide
CID 6140892
N-(propan-2-ylideneamino)morpholine-4-carboxamide
CID 130660233
1-(azetidin-1-yl)ethanone
CID 14061673
N-(2-chloropropanoyl)azetidine-1-carboxamide
CID 126980646
4-methyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,4-diazepane-1-carboxamide
CID 143501797
N-(3-methylbut-2-enyl)azetidine-1-carboxamide
CID 130669860
N-(2-methylpropanoyl)pyrrolidine-1-carboxamide
CID 91389730
3-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 55003133
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
(E)-5-(azetidin-1-yl)hex-3-en-2-one
CID 172576962

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide?
The IUPAC name of N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide (CID 145130222) is N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide.
What is the SMILES notation for N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide?
The canonical SMILES for N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide is C/C=C\C=N\C(C)/C(C)=N/NC(=O)N1CCC1.
What is the InChIKey of N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide?
The InChIKey is XHTKTYQBZAFLQW-CABUBAICSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-5-7-13-10(2)11(3)14-15-12(17)16-8-6-9-16/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,17)/b5-4-,13-7+,14-11+.
What are the key properties of N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide?
N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[[(Z)-but-2-enylidene]amino]butan-2-ylideneamino]azetidine-1-carboxamide is sourced from PubChem (CID 145130222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).