2-ethylidene-N-propan-2-ylpent-3-enamide

C10H17NO — CID 90780254

IUPAC2-ethylidene-N-propan-2-ylpent-3-enamide
SMILESCC=CC(=CC)C(=O)NC(C)C
InChIInChI=1S/C10H17NO/c1-5-7-9(6-2)10(12)11-8(3)4/h5-8H,1-4H3,(H,11,12)
InChIKeyDYJOWMKQNDBRCN-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.03
Rot. Bonds3

About 2-ethylidene-N-propan-2-ylpent-3-enamide

2-ethylidene-N-propan-2-ylpent-3-enamide (PubChem CID 90780254) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-ethylidene-N-propan-2-ylpent-3-enamide.

Molecular Properties

Compound Name2-ethylidene-N-propan-2-ylpent-3-enamide
PubChem CID90780254
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-ethylidene-N-propan-2-ylpent-3-enamide
SMILESCC=CC(=CC)C(=O)NC(C)C
InChIInChI=1S/C10H17NO/c1-5-7-9(6-2)10(12)11-8(3)4/h5-8H,1-4H3,(H,11,12)
InChIKeyDYJOWMKQNDBRCN-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-N-propan-2-ylpent-3-enamide?
The IUPAC name of 2-ethylidene-N-propan-2-ylpent-3-enamide (CID 90780254) is 2-ethylidene-N-propan-2-ylpent-3-enamide.
What is the SMILES notation for 2-ethylidene-N-propan-2-ylpent-3-enamide?
The canonical SMILES for 2-ethylidene-N-propan-2-ylpent-3-enamide is CC=CC(=CC)C(=O)NC(C)C.
What is the InChIKey of 2-ethylidene-N-propan-2-ylpent-3-enamide?
The InChIKey is DYJOWMKQNDBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7-9(6-2)10(12)11-8(3)4/h5-8H,1-4H3,(H,11,12).
What are the key properties of 2-ethylidene-N-propan-2-ylpent-3-enamide?
2-ethylidene-N-propan-2-ylpent-3-enamide has a molecular weight of 167.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-N-propan-2-ylpent-3-enamide is sourced from PubChem (CID 90780254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).