N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine

C10H16N2 — CID 142494932

IUPACN-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C1CCNC1
InChIInChI=1S/C10H16N2/c1-3-4-9(7-11-2)10-5-6-12-8-10/h3-4,7,10,12H,2,5-6,8H2,1H3/b4-3-,9-7+
InChIKeyPGCGQUXJKCMLBZ-GAWLIRPZSA-N
MW164.25 g/mol
LogP1.76
Rot. Bonds3

About N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine

N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine (PubChem CID 142494932) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine
PubChem CID142494932
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C1CCNC1
InChIInChI=1S/C10H16N2/c1-3-4-9(7-11-2)10-5-6-12-8-10/h3-4,7,10,12H,2,5-6,8H2,1H3/b4-3-,9-7+
InChIKeyPGCGQUXJKCMLBZ-GAWLIRPZSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pyrrolidin-3-ylbut-2-en-1-one
CID 168664788
(Z)-N-ethyl-N'-methylidene-2-piperidin-4-ylprop-2-ene-1,3-diimine
CID 163401538
3-[(E)-but-2-en-2-yl]pyrrolidine
CID 122236928
3-[(E)-prop-1-enyl]pyrrolidine
CID 87940337
3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
CID 145351858
(3E,5Z)-4-(azetidin-3-yl)-2-methylidenehepta-3,5-dienenitrile
CID 156818782
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine
CID 142942953
2-methyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-one
CID 165464726
3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride
CID 126845234
3-[(3E,5Z)-7-methoxyocta-3,5-dien-4-yl]pyrrolidine
CID 154930709
4-[(E)-but-2-en-2-yl]piperidine
CID 134286079

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine (CID 142494932) is N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine is C=N/C=C(\C=C/C)C1CCNC1.
What is the InChIKey of N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine?
The InChIKey is PGCGQUXJKCMLBZ-GAWLIRPZSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-9(7-11-2)10-5-6-12-8-10/h3-4,7,10,12H,2,5-6,8H2,1H3/b4-3-,9-7+.
What are the key properties of N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine has a molecular weight of 164.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 142494932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).