N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide

C7H12N2O — CID 143899645

IUPACN-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide
SMILESCC(/C=C\N(C)C)=N\C=O
InChIInChI=1S/C7H12N2O/c1-7(8-6-10)4-5-9(2)3/h4-6H,1-3H3/b5-4-,8-7+
InChIKeyIYTJOKSAGFANQB-KXKKYDSASA-N
MW140.19 g/mol
LogP0.68
Rot. Bonds3

About N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide

N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide (PubChem CID 143899645) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide.

Molecular Properties

Compound NameN-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide
PubChem CID143899645
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide
SMILESCC(/C=C\N(C)C)=N\C=O
InChIInChI=1S/C7H12N2O/c1-7(8-6-10)4-5-9(2)3/h4-6H,1-3H3/b5-4-,8-7+
InChIKeyIYTJOKSAGFANQB-KXKKYDSASA-N
XLogP0.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-pent-3-en-2-ylidene]formamide
CID 146239104
1,7-bis(dimethylamino)hepta-1,6-diene-3,4,5-trione
CID 57279560
(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol
CID 166800297
(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one
CID 131248590
(2E,4Z)-2-carbamoyl-5-(dimethylamino)-3-methylpenta-2,4-dienoic acid
CID 55255314
N,N-dimethylformamide;ethanol;methanol;propan-2-one
CID 172828368
N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide
CID 131236733
(1Z,4E)-5-(dimethylamino)-2-(methylideneamino)-1-sulfanylpenta-1,4-dien-3-one
CID 142948188
methyl 5-(dimethylamino)penta-2,4-dienoate
CID 85176290
(Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine
CID 170009667
(E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one
CID 131242801
CID 159352431
CID 159352431

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide?
The IUPAC name of N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide (CID 143899645) is N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide.
What is the SMILES notation for N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide?
The canonical SMILES for N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide is CC(/C=C\N(C)C)=N\C=O.
What is the InChIKey of N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide?
The InChIKey is IYTJOKSAGFANQB-KXKKYDSASA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(8-6-10)4-5-9(2)3/h4-6H,1-3H3/b5-4-,8-7+.
What are the key properties of N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide?
N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide has a molecular weight of 140.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide is sourced from PubChem (CID 143899645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).