(Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine

C9H14N2 — CID 155140094

IUPAC(Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine
SMILESC=C/C=N\N1CCCCC1=C
InChIInChI=1S/C9H14N2/c1-3-7-10-11-8-5-4-6-9(11)2/h3,7H,1-2,4-6,8H2/b10-7-
InChIKeyIWGOMTFMNPQKRN-YFHOEESVSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds2

About (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine

(Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine (PubChem CID 155140094) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine
PubChem CID155140094
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine
SMILESC=C/C=N\N1CCCCC1=C
InChIInChI=1S/C9H14N2/c1-3-7-10-11-8-5-4-6-9(11)2/h3,7H,1-2,4-6,8H2/b10-7-
InChIKeyIWGOMTFMNPQKRN-YFHOEESVSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine (CID 155140094) is (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine is C=C/C=N\N1CCCCC1=C.
What is the InChIKey of (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine?
The InChIKey is IWGOMTFMNPQKRN-YFHOEESVSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-7-10-11-8-5-4-6-9(11)2/h3,7H,1-2,4-6,8H2/b10-7-.
What are the key properties of (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine?
(Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine has a molecular weight of 150.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 155140094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).