methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium

C9H13N2+ — CID 123927784

IUPACmethylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium
SMILESC#[N+]C1=C(C=CC)CCN1C
InChIInChI=1S/C9H13N2/c1-4-5-8-6-7-11(3)9(8)10-2/h2,4-5H,6-7H2,1,3H3/q+1
InChIKeyGXCBGQACCWGIOA-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.07
Rot. Bonds1

About methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium

methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium (PubChem CID 123927784) has the molecular formula C9H13N2+ and a molecular weight of 149.22 g/mol. Its IUPAC name is methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium.

Molecular Properties

Compound Namemethylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium
PubChem CID123927784
Molecular FormulaC9H13N2+
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Namemethylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium
SMILESC#[N+]C1=C(C=CC)CCN1C
InChIInChI=1S/C9H13N2/c1-4-5-8-6-7-11(3)9(8)10-2/h2,4-5H,6-7H2,1,3H3/q+1
InChIKeyGXCBGQACCWGIOA-UHFFFAOYSA-N
XLogP2.07
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine
CID 12161648
1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine
CID 130347219
N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine
CID 143110117
N-[1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-5-yl]methanimine
CID 143402601
N,1-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-5-amine
CID 143469011
1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
CID 142176988
(1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine
CID 176678327
2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine
CID 177432877

Frequently Asked Questions

What is the IUPAC name of methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium?
The IUPAC name of methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium (CID 123927784) is methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium.
What is the SMILES notation for methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium?
The canonical SMILES for methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium is C#[N+]C1=C(C=CC)CCN1C.
What is the InChIKey of methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium?
The InChIKey is GXCBGQACCWGIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2/c1-4-5-8-6-7-11(3)9(8)10-2/h2,4-5H,6-7H2,1,3H3/q+1.
What are the key properties of methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium?
methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium has a molecular weight of 149.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-(1-methyl-4-prop-1-enyl-2,3-dihydropyrrol-5-yl)azanium is sourced from PubChem (CID 123927784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).