(1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine

C6H10N2 — CID 89378016

IUPAC(1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine
SMILESCN/C=C1\C=CCN1
InChIInChI=1S/C6H10N2/c1-7-5-6-3-2-4-8-6/h2-3,5,7-8H,4H2,1H3/b6-5+
InChIKeyUNMNYYHIPAYTQU-AATRIKPKSA-N
MW110.16 g/mol
LogP0.21
Rot. Bonds1

About (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine

(1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine (PubChem CID 89378016) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine.

Molecular Properties

Compound Name(1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine
PubChem CID89378016
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine
SMILESCN/C=C1\C=CCN1
InChIInChI=1S/C6H10N2/c1-7-5-6-3-2-4-8-6/h2-3,5,7-8H,4H2,1H3/b6-5+
InChIKeyUNMNYYHIPAYTQU-AATRIKPKSA-N
XLogP0.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine?
The IUPAC name of (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine (CID 89378016) is (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine.
What is the SMILES notation for (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine?
The canonical SMILES for (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine is CN/C=C1\C=CCN1.
What is the InChIKey of (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine?
The InChIKey is UNMNYYHIPAYTQU-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10N2/c1-7-5-6-3-2-4-8-6/h2-3,5,7-8H,4H2,1H3/b6-5+.
What are the key properties of (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine?
(1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine has a molecular weight of 110.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine is sourced from PubChem (CID 89378016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).