N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide

C12H21NO — CID 123432083

IUPACN-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide
SMILESCC=CC(C(=O)N(C)C(C)C)=C(C)C
InChIInChI=1S/C12H21NO/c1-7-8-11(9(2)3)12(14)13(6)10(4)5/h7-8,10H,1-6H3
InChIKeyKHCNROGHWIIDLV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.77
Rot. Bonds3

About N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide

N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide (PubChem CID 123432083) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide
PubChem CID123432083
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide
SMILESCC=CC(C(=O)N(C)C(C)C)=C(C)C
InChIInChI=1S/C12H21NO/c1-7-8-11(9(2)3)12(14)13(6)10(4)5/h7-8,10H,1-6H3
InChIKeyKHCNROGHWIIDLV-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide?
The IUPAC name of N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide (CID 123432083) is N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide?
The canonical SMILES for N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide is CC=CC(C(=O)N(C)C(C)C)=C(C)C.
What is the InChIKey of N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide?
The InChIKey is KHCNROGHWIIDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-7-8-11(9(2)3)12(14)13(6)10(4)5/h7-8,10H,1-6H3.
What are the key properties of N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide?
N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide is sourced from PubChem (CID 123432083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).