N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine

C15H25N3 — CID 123697997

IUPACN-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine
SMILESC=C/N=C(\C=C)N1CCCC1C1CCN(C)CC1
InChIInChI=1S/C15H25N3/c1-4-15(16-5-2)18-10-6-7-14(18)13-8-11-17(3)12-9-13/h4-5,13-14H,1-2,6-12H2,3H3/b16-15+
InChIKeyNNGASKDNBDOFHF-FOCLMDBBSA-N
MW247.39 g/mol
LogP2.52
Rot. Bonds3

About N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine

N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine (PubChem CID 123697997) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine
PubChem CID123697997
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine
SMILESC=C/N=C(\C=C)N1CCCC1C1CCN(C)CC1
InChIInChI=1S/C15H25N3/c1-4-15(16-5-2)18-10-6-7-14(18)13-8-11-17(3)12-9-13/h4-5,13-14H,1-2,6-12H2,3H3/b16-15+
InChIKeyNNGASKDNBDOFHF-FOCLMDBBSA-N
XLogP2.52
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine?
The IUPAC name of N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine (CID 123697997) is N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine?
The canonical SMILES for N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine is C=C/N=C(\C=C)N1CCCC1C1CCN(C)CC1.
What is the InChIKey of N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine?
The InChIKey is NNGASKDNBDOFHF-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-15(16-5-2)18-10-6-7-14(18)13-8-11-17(3)12-9-13/h4-5,13-14H,1-2,6-12H2,3H3/b16-15+.
What are the key properties of N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine?
N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine has a molecular weight of 247.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine is sourced from PubChem (CID 123697997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).