N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide

C12H22N2O — CID 130253197

IUPACN-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
SMILESC=CNC(=C)CCN(C(=O)CC)C(C)C
InChIInChI=1S/C12H22N2O/c1-6-12(15)14(10(3)4)9-8-11(5)13-7-2/h7,10,13H,2,5-6,8-9H2,1,3-4H3
InChIKeyRPCQEGRVODYUHW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.27
Rot. Bonds7

About N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide

N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide (PubChem CID 130253197) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
PubChem CID130253197
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
SMILESC=CNC(=C)CCN(C(=O)CC)C(C)C
InChIInChI=1S/C12H22N2O/c1-6-12(15)14(10(3)4)9-8-11(5)13-7-2/h7,10,13H,2,5-6,8-9H2,1,3-4H3
InChIKeyRPCQEGRVODYUHW-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide?
The IUPAC name of N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide (CID 130253197) is N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide?
The canonical SMILES for N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide is C=CNC(=C)CCN(C(=O)CC)C(C)C.
What is the InChIKey of N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide?
The InChIKey is RPCQEGRVODYUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-12(15)14(10(3)4)9-8-11(5)13-7-2/h7,10,13H,2,5-6,8-9H2,1,3-4H3.
What are the key properties of N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide?
N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 130253197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).