1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine

C11H18N2 — CID 143328935

IUPAC1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine
SMILESC=C1CCN(C(N)C(=C)C)/C1=C/C
InChIInChI=1S/C11H18N2/c1-5-10-9(4)6-7-13(10)11(12)8(2)3/h5,11H,2,4,6-7,12H2,1,3H3/b10-5+
InChIKeyHSRYSNMVEPISDD-BJMVGYQFSA-N
MW178.28 g/mol
LogP2.01
Rot. Bonds2

About 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine

1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine (PubChem CID 143328935) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine
PubChem CID143328935
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine
SMILESC=C1CCN(C(N)C(=C)C)/C1=C/C
InChIInChI=1S/C11H18N2/c1-5-10-9(4)6-7-13(10)11(12)8(2)3/h5,11H,2,4,6-7,12H2,1,3H3/b10-5+
InChIKeyHSRYSNMVEPISDD-BJMVGYQFSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.01
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 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine?
The IUPAC name of 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine (CID 143328935) is 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine is C=C1CCN(C(N)C(=C)C)/C1=C/C.
What is the InChIKey of 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine?
The InChIKey is HSRYSNMVEPISDD-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-10-9(4)6-7-13(10)11(12)8(2)3/h5,11H,2,4,6-7,12H2,1,3H3/b10-5+.
What are the key properties of 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine?
1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethylidene-3-methylidenepyrrolidin-1-yl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 143328935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).