(2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium

C9H14N+ — CID 163543370

IUPAC(2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium
SMILESCCC1=CC=CC1/C=[NH+]/C
InChIInChI=1S/C9H13N/c1-3-8-5-4-6-9(8)7-10-2/h4-7,9H,3H2,1-2H3/p+1/b10-7+
InChIKeyFCZKMECARQQUMP-JXMROGBWSA-O
MW136.22 g/mol
LogP0.29
Rot. Bonds2

About (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium

(2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium (PubChem CID 163543370) has the molecular formula C9H14N+ and a molecular weight of 136.22 g/mol. Its IUPAC name is (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium.

Molecular Properties

Compound Name(2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium
PubChem CID163543370
Molecular FormulaC9H14N+
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC Name(2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium
SMILESCCC1=CC=CC1/C=[NH+]/C
InChIInChI=1S/C9H13N/c1-3-8-5-4-6-9(8)7-10-2/h4-7,9H,3H2,1-2H3/p+1/b10-7+
InChIKeyFCZKMECARQQUMP-JXMROGBWSA-O
XLogP0.29
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium?
The IUPAC name of (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium (CID 163543370) is (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium.
What is the SMILES notation for (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium?
The canonical SMILES for (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium is CCC1=CC=CC1/C=[NH+]/C.
What is the InChIKey of (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium?
The InChIKey is FCZKMECARQQUMP-JXMROGBWSA-O. The full InChI is InChI=1S/C9H13N/c1-3-8-5-4-6-9(8)7-10-2/h4-7,9H,3H2,1-2H3/p+1/b10-7+.
What are the key properties of (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium?
(2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium has a molecular weight of 136.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclopenta-2,4-dien-1-yl)methylidene-methylazanium is sourced from PubChem (CID 163543370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).