N,N-bis(but-2-enyl)formamide

C9H15NO — CID 76548321

IUPACN,N-bis(but-2-enyl)formamide
SMILESCC=CCN(C=O)CC=CC
InChIInChI=1S/C9H15NO/c1-3-5-7-10(9-11)8-6-4-2/h3-6,9H,7-8H2,1-2H3
InChIKeyDFWJRPOEWYYLKD-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.60
Rot. Bonds5

About N,N-bis(but-2-enyl)formamide

N,N-bis(but-2-enyl)formamide (PubChem CID 76548321) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N,N-bis(but-2-enyl)formamide.

Molecular Properties

Compound NameN,N-bis(but-2-enyl)formamide
PubChem CID76548321
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN,N-bis(but-2-enyl)formamide
SMILESCC=CCN(C=O)CC=CC
InChIInChI=1S/C9H15NO/c1-3-5-7-10(9-11)8-6-4-2/h3-6,9H,7-8H2,1-2H3
InChIKeyDFWJRPOEWYYLKD-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-enyl-N-methylbut-2-en-1-amine
CID 91131221
1,1-bis[(E)-but-2-enyl]hydrazine
CID 5367930
cadmium;N,N-diethylformamide
CID 157494696
1-[(E)-but-2-enyl]-1-ethylhydrazine
CID 174425396
N-(2,3-dimethylcyclopropyl)-N-octa-2,6-dienylformamide
CID 156773045
N-methyl-N-propylbut-2-en-1-amine
CID 123499797
(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine
CID 54198139
(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine
CID 5364995
2-[[(E)-but-2-enyl]-methylamino]propanedioic acid
CID 172778967
2-[bis(but-2-enyl)amino]butan-1-ol
CID 139612160
N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide
CID 90250316
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975

Frequently Asked Questions

What is the IUPAC name of N,N-bis(but-2-enyl)formamide?
The IUPAC name of N,N-bis(but-2-enyl)formamide (CID 76548321) is N,N-bis(but-2-enyl)formamide.
What is the SMILES notation for N,N-bis(but-2-enyl)formamide?
The canonical SMILES for N,N-bis(but-2-enyl)formamide is CC=CCN(C=O)CC=CC.
What is the InChIKey of N,N-bis(but-2-enyl)formamide?
The InChIKey is DFWJRPOEWYYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-7-10(9-11)8-6-4-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N,N-bis(but-2-enyl)formamide?
N,N-bis(but-2-enyl)formamide has a molecular weight of 153.22 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(but-2-enyl)formamide is sourced from PubChem (CID 76548321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).