3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine

C11H17N3O — CID 145197790

IUPAC3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine
SMILESC=C(C)/N=C1\CCN(CCN=O)CC1=C
InChIInChI=1S/C11H17N3O/c1-9(2)13-11-4-6-14(7-5-12-15)8-10(11)3/h1,3-8H2,2H3/b13-11+
InChIKeyGJMSUKJPOMKFRT-ACCUITESSA-N
MW207.28 g/mol
LogP1.99
Rot. Bonds4

About 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine

3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine (PubChem CID 145197790) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine.

Molecular Properties

Compound Name3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine
PubChem CID145197790
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine
SMILESC=C(C)/N=C1\CCN(CCN=O)CC1=C
InChIInChI=1S/C11H17N3O/c1-9(2)13-11-4-6-14(7-5-12-15)8-10(11)3/h1,3-8H2,2H3/b13-11+
InChIKeyGJMSUKJPOMKFRT-ACCUITESSA-N
XLogP1.99
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine?
The IUPAC name of 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine (CID 145197790) is 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine.
What is the SMILES notation for 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine?
The canonical SMILES for 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine is C=C(C)/N=C1\CCN(CCN=O)CC1=C.
What is the InChIKey of 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine?
The InChIKey is GJMSUKJPOMKFRT-ACCUITESSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(2)13-11-4-6-14(7-5-12-15)8-10(11)3/h1,3-8H2,2H3/b13-11+.
What are the key properties of 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine?
3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine has a molecular weight of 207.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine is sourced from PubChem (CID 145197790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).