N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide

C9H16N4O — CID 142219166

IUPACN-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide
SMILESCN(C)/C(=C\N)CCNC(=O)CC#N
InChIInChI=1S/C9H16N4O/c1-13(2)8(7-11)4-6-12-9(14)3-5-10/h7H,3-4,6,11H2,1-2H3,(H,12,14)/b8-7-
InChIKeyTYQPELQZAAZNHR-FPLPWBNLSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds5

About N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide

N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide (PubChem CID 142219166) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide
PubChem CID142219166
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide
SMILESCN(C)/C(=C\N)CCNC(=O)CC#N
InChIInChI=1S/C9H16N4O/c1-13(2)8(7-11)4-6-12-9(14)3-5-10/h7H,3-4,6,11H2,1-2H3,(H,12,14)/b8-7-
InChIKeyTYQPELQZAAZNHR-FPLPWBNLSA-N
XLogP-0.23
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
CID 130253197
N-[(Z)-1-aminobut-1-en-2-yl]-N-methylpropanamide
CID 141994034
N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide
CID 142959970
acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
CID 142959973
N-ethyl-3-(ethylamino)but-3-enamide
CID 148931324
(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide
CID 170356587
Triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium
CID 176967053
3-(4-amino-2-oxo-3H-pyrrol-1-yl)propanenitrile
CID 51062625
N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
CID 142959974

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide?
The IUPAC name of N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide (CID 142219166) is N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide.
What is the SMILES notation for N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide?
The canonical SMILES for N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide is CN(C)/C(=C\N)CCNC(=O)CC#N.
What is the InChIKey of N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide?
The InChIKey is TYQPELQZAAZNHR-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13(2)8(7-11)4-6-12-9(14)3-5-10/h7H,3-4,6,11H2,1-2H3,(H,12,14)/b8-7-.
What are the key properties of N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide?
N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide has a molecular weight of 196.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide is sourced from PubChem (CID 142219166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).