N-ethoxypyrrolidin-3-imine

C6H12N2O — CID 123677631

IUPACN-ethoxypyrrolidin-3-imine
SMILESCCON=C1CCNC1
InChIInChI=1S/C6H12N2O/c1-2-9-8-6-3-4-7-5-6/h7H,2-5H2,1H3
InChIKeyNKKCWFZANUSDDS-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.37
Rot. Bonds2

About N-ethoxypyrrolidin-3-imine

N-ethoxypyrrolidin-3-imine (PubChem CID 123677631) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-ethoxypyrrolidin-3-imine.

Molecular Properties

Compound NameN-ethoxypyrrolidin-3-imine
PubChem CID123677631
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-ethoxypyrrolidin-3-imine
SMILESCCON=C1CCNC1
InChIInChI=1S/C6H12N2O/c1-2-9-8-6-3-4-7-5-6/h7H,2-5H2,1H3
InChIKeyNKKCWFZANUSDDS-UHFFFAOYSA-N
XLogP0.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxyazetidin-3-imine
CID 137451087
N-ethoxyoxan-4-imine
CID 90826046
N-propoxyazetidin-3-imine
CID 171507846
(NE)-N-pyrrolidin-3-ylidenehydroxylamine
CID 14478547
[(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine
CID 10633199
4-ethoxyimino-3-methylpyrrolidin-3-amine
CID 141348399
N-ethoxy-8-azoniabicyclo[3.2.1]octan-3-imine chloride
CID 86600695
(Z)-N-ethoxyspiro[3.3]heptan-3-imine
CID 126994966
N-[(4-chlorophenyl)methoxy]piperidin-4-imine
CID 21259128
3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 119030370
4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine
CID 23423763
ethyl 4-(hydroxymethylsulfonyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 69428464

Frequently Asked Questions

What is the IUPAC name of N-ethoxypyrrolidin-3-imine?
The IUPAC name of N-ethoxypyrrolidin-3-imine (CID 123677631) is N-ethoxypyrrolidin-3-imine.
What is the SMILES notation for N-ethoxypyrrolidin-3-imine?
The canonical SMILES for N-ethoxypyrrolidin-3-imine is CCON=C1CCNC1.
What is the InChIKey of N-ethoxypyrrolidin-3-imine?
The InChIKey is NKKCWFZANUSDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-9-8-6-3-4-7-5-6/h7H,2-5H2,1H3.
What are the key properties of N-ethoxypyrrolidin-3-imine?
N-ethoxypyrrolidin-3-imine has a molecular weight of 128.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxypyrrolidin-3-imine is sourced from PubChem (CID 123677631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).