(E)-N-methoxycyclopent-2-en-1-imine

C6H9NO — CID 89026558

IUPAC(E)-N-methoxycyclopent-2-en-1-imine
SMILESCO/N=C1/C=CCC1
InChIInChI=1S/C6H9NO/c1-8-7-6-4-2-3-5-6/h2,4H,3,5H2,1H3/b7-6-
InChIKeyGHVRNWWXFLCGGB-SREVYHEPSA-N
MW111.14 g/mol
LogP1.34
Rot. Bonds1

About (E)-N-methoxycyclopent-2-en-1-imine

(E)-N-methoxycyclopent-2-en-1-imine (PubChem CID 89026558) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (E)-N-methoxycyclopent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methoxycyclopent-2-en-1-imine
PubChem CID89026558
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(E)-N-methoxycyclopent-2-en-1-imine
SMILESCO/N=C1/C=CCC1
InChIInChI=1S/C6H9NO/c1-8-7-6-4-2-3-5-6/h2,4H,3,5H2,1H3/b7-6-
InChIKeyGHVRNWWXFLCGGB-SREVYHEPSA-N
XLogP1.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(Z)-cyclohex-2-en-1-ylideneamino]methanamine
CID 134883459
1,2-dimethoxycycloocta-1,5-diene
CID 57217200
3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine
CID 166468818
2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 144673949
(NZ)-N-cyclohex-2-en-1-ylidenehydroxylamine;hydrochloride
CID 88770127
2-methylcycloocta-1,3,5-trien-1-amine
CID 67050786
2-ethylcyclohexa-1,5-dien-1-amine
CID 143824141
1-[(2-methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine
CID 149020798
methyl 2-[(R)-hydroxy(methoxy)methyl]cyclohexa-1,5-diene-1-carboxylate
CID 121367120
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine
CID 11009150
4-methoxy-7,8-dihydronaphthalene-1-carbothialdehyde
CID 18976444
2-chlorocyclohexa-1,3-dien-1-amine
CID 67694801

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxycyclopent-2-en-1-imine?
The IUPAC name of (E)-N-methoxycyclopent-2-en-1-imine (CID 89026558) is (E)-N-methoxycyclopent-2-en-1-imine.
What is the SMILES notation for (E)-N-methoxycyclopent-2-en-1-imine?
The canonical SMILES for (E)-N-methoxycyclopent-2-en-1-imine is CO/N=C1/C=CCC1.
What is the InChIKey of (E)-N-methoxycyclopent-2-en-1-imine?
The InChIKey is GHVRNWWXFLCGGB-SREVYHEPSA-N. The full InChI is InChI=1S/C6H9NO/c1-8-7-6-4-2-3-5-6/h2,4H,3,5H2,1H3/b7-6-.
What are the key properties of (E)-N-methoxycyclopent-2-en-1-imine?
(E)-N-methoxycyclopent-2-en-1-imine has a molecular weight of 111.14 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxycyclopent-2-en-1-imine is sourced from PubChem (CID 89026558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).