2,3-dihydropyrrol-1-ylmethanimine

C5H8N2 — CID 91365800

IUPAC2,3-dihydropyrrol-1-ylmethanimine
SMILES[H]/N=C/N1C=CCC1
InChIInChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1,3,5-6H,2,4H2/b6-5+
InChIKeyACEDURYCRQOHEJ-AATRIKPKSA-N
MW96.13 g/mol
LogP0.81
Rot. Bonds1

About 2,3-dihydropyrrol-1-ylmethanimine

2,3-dihydropyrrol-1-ylmethanimine (PubChem CID 91365800) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2,3-dihydropyrrol-1-ylmethanimine.

Molecular Properties

Compound Name2,3-dihydropyrrol-1-ylmethanimine
PubChem CID91365800
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2,3-dihydropyrrol-1-ylmethanimine
SMILES[H]/N=C/N1C=CCC1
InChIInChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1,3,5-6H,2,4H2/b6-5+
InChIKeyACEDURYCRQOHEJ-AATRIKPKSA-N
XLogP0.81
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydropyrrole-1-carboximidamide
CID 54076033
N-methyl-N-(3-methylbut-1-enyl)methanimidamide
CID 90741388
N-[(Z)-prop-1-enyl]-N-propylmethanimidamide
CID 117805299
N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide
CID 122536879
N-methyl-N-prop-1-enylmethanimidamide
CID 123388382
N-but-1-enyl-N-methylmethanimidamide
CID 123667804
N-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 135303217
2,3-Dihydropyrrole-1-carboximidamide;hydrochloride
CID 140900060
ethene;N-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 141770328
N-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 141770329
N-methyl-N-[(E)-prop-1-enyl]methanimidamide
CID 143028866
N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide
CID 143038048

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrol-1-ylmethanimine?
The IUPAC name of 2,3-dihydropyrrol-1-ylmethanimine (CID 91365800) is 2,3-dihydropyrrol-1-ylmethanimine.
What is the SMILES notation for 2,3-dihydropyrrol-1-ylmethanimine?
The canonical SMILES for 2,3-dihydropyrrol-1-ylmethanimine is [H]/N=C/N1C=CCC1.
What is the InChIKey of 2,3-dihydropyrrol-1-ylmethanimine?
The InChIKey is ACEDURYCRQOHEJ-AATRIKPKSA-N. The full InChI is InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1,3,5-6H,2,4H2/b6-5+.
What are the key properties of 2,3-dihydropyrrol-1-ylmethanimine?
2,3-dihydropyrrol-1-ylmethanimine has a molecular weight of 96.13 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrol-1-ylmethanimine is sourced from PubChem (CID 91365800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).