(2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine

C14H22N2O — CID 123628257

IUPAC(2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCC(OC)C1
InChIInChI=1S/C14H22N2O/c1-17-13-8-9-16(11-13)10-12-6-4-2-3-5-7-14(12)15/h2,4,6,13,15H,3,5,7-11H2,1H3/b4-2?,12-6-,15-14+
InChIKeyOSCJIJSYABMVEE-GFYDFPAQSA-N
MW234.34 g/mol
LogP2.39
Rot. Bonds3

About (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine

(2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine (PubChem CID 123628257) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
PubChem CID123628257
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCC(OC)C1
InChIInChI=1S/C14H22N2O/c1-17-13-8-9-16(11-13)10-12-6-4-2-3-5-7-14(12)15/h2,4,6,13,15H,3,5,7-11H2,1H3/b4-2?,12-6-,15-14+
InChIKeyOSCJIJSYABMVEE-GFYDFPAQSA-N
XLogP2.39
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(2-methylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123153923
(2Z)-2-[(3,3-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123165362
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxy-N-methylethanamine
CID 123358351
(2Z)-2-[(2,6-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123463010
1-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]pyrrolidin-3-ol
CID 123601028
(2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123897761
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine
CID 123909994

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine (CID 123628257) is (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine is [H]/N=C1CCCC=C/C=C\1CN1CCC(OC)C1.
What is the InChIKey of (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
The InChIKey is OSCJIJSYABMVEE-GFYDFPAQSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-13-8-9-16(11-13)10-12-6-4-2-3-5-7-14(12)15/h2,4,6,13,15H,3,5,7-11H2,1H3/b4-2?,12-6-,15-14+.
What are the key properties of (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
(2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine has a molecular weight of 234.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine is sourced from PubChem (CID 123628257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).