(E)-2-[bis(prop-2-enyl)amino]pent-2-enamide

C11H18N2O — CID 87793592

IUPAC(E)-2-[bis(prop-2-enyl)amino]pent-2-enamide
SMILESC=CCN(CC=C)/C(=C/CC)C(N)=O
InChIInChI=1S/C11H18N2O/c1-4-7-10(11(12)14)13(8-5-2)9-6-3/h5-7H,2-4,8-9H2,1H3,(H2,12,14)/b10-7+
InChIKeyREFPYCKVTMHMQJ-JXMROGBWSA-N
MW194.28 g/mol
LogP1.44
Rot. Bonds7

About (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide

(E)-2-[bis(prop-2-enyl)amino]pent-2-enamide (PubChem CID 87793592) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide.

Molecular Properties

Compound Name(E)-2-[bis(prop-2-enyl)amino]pent-2-enamide
PubChem CID87793592
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(E)-2-[bis(prop-2-enyl)amino]pent-2-enamide
SMILESC=CCN(CC=C)/C(=C/CC)C(N)=O
InChIInChI=1S/C11H18N2O/c1-4-7-10(11(12)14)13(8-5-2)9-6-3/h5-7H,2-4,8-9H2,1H3,(H2,12,14)/b10-7+
InChIKeyREFPYCKVTMHMQJ-JXMROGBWSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide?
The IUPAC name of (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide (CID 87793592) is (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide.
What is the SMILES notation for (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide?
The canonical SMILES for (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide is C=CCN(CC=C)/C(=C/CC)C(N)=O.
What is the InChIKey of (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide?
The InChIKey is REFPYCKVTMHMQJ-JXMROGBWSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-7-10(11(12)14)13(8-5-2)9-6-3/h5-7H,2-4,8-9H2,1H3,(H2,12,14)/b10-7+.
What are the key properties of (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide?
(E)-2-[bis(prop-2-enyl)amino]pent-2-enamide has a molecular weight of 194.28 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[bis(prop-2-enyl)amino]pent-2-enamide is sourced from PubChem (CID 87793592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).