N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide

C14H24N2O — CID 100685042

IUPACN-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide
SMILESC=CCC(CC=C)C(=O)NC1CN(C(C)C)C1
InChIInChI=1S/C14H24N2O/c1-5-7-12(8-6-2)14(17)15-13-9-16(10-13)11(3)4/h5-6,11-13H,1-2,7-10H2,3-4H3,(H,15,17)
InChIKeyJGNHQYXBMZBNRH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.96
Rot. Bonds7

About N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide

N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide (PubChem CID 100685042) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide.

Molecular Properties

Compound NameN-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide
PubChem CID100685042
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide
SMILESC=CCC(CC=C)C(=O)NC1CN(C(C)C)C1
InChIInChI=1S/C14H24N2O/c1-5-7-12(8-6-2)14(17)15-13-9-16(10-13)11(3)4/h5-6,11-13H,1-2,7-10H2,3-4H3,(H,15,17)
InChIKeyJGNHQYXBMZBNRH-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide?
The IUPAC name of N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide (CID 100685042) is N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide.
What is the SMILES notation for N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide?
The canonical SMILES for N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide is C=CCC(CC=C)C(=O)NC1CN(C(C)C)C1.
What is the InChIKey of N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide?
The InChIKey is JGNHQYXBMZBNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-7-12(8-6-2)14(17)15-13-9-16(10-13)11(3)4/h5-6,11-13H,1-2,7-10H2,3-4H3,(H,15,17).
What are the key properties of N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide?
N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide has a molecular weight of 236.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide is sourced from PubChem (CID 100685042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).