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

C9H18N2O — CID 143899644

IUPACN-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane
SMILESCC.CC(/C=C\N(C)C)=N\C=O
InChIInChI=1S/C7H12N2O.C2H6/c1-7(8-6-10)4-5-9(2)3;1-2/h4-6H,1-3H3;1-2H3/b5-4-,8-7+;
InChIKeyXRWRNMDQRBVCPC-QBBNMOJLSA-N
MW170.26 g/mol
LogP1.71
Rot. Bonds3

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

N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane (PubChem CID 143899644) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane.

Molecular Properties

Compound NameN-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane
PubChem CID143899644
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane
SMILESCC.CC(/C=C\N(C)C)=N\C=O
InChIInChI=1S/C7H12N2O.C2H6/c1-7(8-6-10)4-5-9(2)3;1-2/h4-6H,1-3H3;1-2H3/b5-4-,8-7+;
InChIKeyXRWRNMDQRBVCPC-QBBNMOJLSA-N
XLogP1.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.71
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

Pyridine, 4-acetylimino-1,4-dihydro-1-methyl-
CID 23422272
ethane;N-[(Z)-3-methyliminobut-1-enyl]formamide
CID 141911302
ethane;N-[(Z)-3-methyliminobut-1-enyl]formamide
CID 141947757
N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide
CID 143899645
1,4-Dimethylpyrimidin-2-one;ethane
CID 144443693
4-methyl-2H-pyrimidine-1-carbaldehyde
CID 153997279
N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide
CID 144767251

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane?
The IUPAC name of N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane (CID 143899644) is N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane.
What is the SMILES notation for N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane?
The canonical SMILES for N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane is CC.CC(/C=C\N(C)C)=N\C=O.
What is the InChIKey of N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane?
The InChIKey is XRWRNMDQRBVCPC-QBBNMOJLSA-N. The full InChI is InChI=1S/C7H12N2O.C2H6/c1-7(8-6-10)4-5-9(2)3;1-2/h4-6H,1-3H3;1-2H3/b5-4-,8-7+;.
What are the key properties of N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane?
N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide;ethane has a molecular weight of 170.26 g/mol, XLogP of 1.71, 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;ethane is sourced from PubChem (CID 143899644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).