N,N-di(propan-2-yl)pent-4-enamide

C11H21NO — CID 86248502

IUPACN,N-di(propan-2-yl)pent-4-enamide
SMILESC=CCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO/c1-6-7-8-11(13)12(9(2)3)10(4)5/h6,9-10H,1,7-8H2,2-5H3
InChIKeyVWMQRNLIOUMVMT-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds5

About N,N-di(propan-2-yl)pent-4-enamide

N,N-di(propan-2-yl)pent-4-enamide (PubChem CID 86248502) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N,N-di(propan-2-yl)pent-4-enamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)pent-4-enamide
PubChem CID86248502
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN,N-di(propan-2-yl)pent-4-enamide
SMILESC=CCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO/c1-6-7-8-11(13)12(9(2)3)10(4)5/h6,9-10H,1,7-8H2,2-5H3
InChIKeyVWMQRNLIOUMVMT-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)pent-4-enamide?
The IUPAC name of N,N-di(propan-2-yl)pent-4-enamide (CID 86248502) is N,N-di(propan-2-yl)pent-4-enamide.
What is the SMILES notation for N,N-di(propan-2-yl)pent-4-enamide?
The canonical SMILES for N,N-di(propan-2-yl)pent-4-enamide is C=CCCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)pent-4-enamide?
The InChIKey is VWMQRNLIOUMVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-8-11(13)12(9(2)3)10(4)5/h6,9-10H,1,7-8H2,2-5H3.
What are the key properties of N,N-di(propan-2-yl)pent-4-enamide?
N,N-di(propan-2-yl)pent-4-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)pent-4-enamide is sourced from PubChem (CID 86248502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).