pyrrolidin-3-imine

C4H8N2 — CID 22631378

IUPACpyrrolidin-3-imine
SMILES[H]/N=C1\CCNC1
InChIInChI=1S/C4H8N2/c5-4-1-2-6-3-4/h5-6H,1-3H2/b5-4+
InChIKeyQQSBGBBBMKKBIC-SNAWJCMRSA-N
MW84.12 g/mol
LogP-0.00
Rot. Bonds

About pyrrolidin-3-imine

pyrrolidin-3-imine (PubChem CID 22631378) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is pyrrolidin-3-imine.

Molecular Properties

Compound Namepyrrolidin-3-imine
PubChem CID22631378
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Namepyrrolidin-3-imine
SMILES[H]/N=C1\CCNC1
InChIInChI=1S/C4H8N2/c5-4-1-2-6-3-4/h5-6H,1-3H2/b5-4+
InChIKeyQQSBGBBBMKKBIC-SNAWJCMRSA-N
XLogP-0.00
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Diazopyrrolidine
CID 129874445
(NE)-N-pyrrolidin-3-ylidenehydroxylamine
CID 14478547
1-Methylpyrrolidin-3-imine
CID 57293237
N,4-dimethylpyrrolidin-3-imine
CID 59024451
(NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine
CID 59130846
4-Methylpyrrolidin-3-imine
CID 70149418
Pyrrolidine-3,4-diimine
CID 70330662
N-pyrrolidin-3-ylidenehydroxylamine
CID 72732196
3-Hydroxyiminopyrrolidine hydrochloride
CID 86742432
N-(pyrrolidin-3-ylidene)hydroxylamine
CID 88461706
(NZ)-N-pyrrolidin-3-ylidenehydroxylamine;hydrochloride
CID 88522498
3-imino-N-methylbutan-1-amine
CID 89681834

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-imine?
The IUPAC name of pyrrolidin-3-imine (CID 22631378) is pyrrolidin-3-imine.
What is the SMILES notation for pyrrolidin-3-imine?
The canonical SMILES for pyrrolidin-3-imine is [H]/N=C1\CCNC1.
What is the InChIKey of pyrrolidin-3-imine?
The InChIKey is QQSBGBBBMKKBIC-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H8N2/c5-4-1-2-6-3-4/h5-6H,1-3H2/b5-4+.
What are the key properties of pyrrolidin-3-imine?
pyrrolidin-3-imine has a molecular weight of 84.12 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-imine is sourced from PubChem (CID 22631378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).