1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine

C7H9N — CID 12618107

IUPAC1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine
SMILESCNC=C1C=CC=C1
InChIInChI=1S/C7H9N/c1-8-6-7-4-2-3-5-7/h2-6,8H,1H3
InChIKeyXQWIDHNQZMOLMR-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.22
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine

1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine (PubChem CID 12618107) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine
PubChem CID12618107
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine
SMILESCNC=C1C=CC=C1
InChIInChI=1S/C7H9N/c1-8-6-7-4-2-3-5-7/h2-6,8H,1H3
InChIKeyXQWIDHNQZMOLMR-UHFFFAOYSA-N
XLogP1.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine (CID 12618107) is 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine is CNC=C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine?
The InChIKey is XQWIDHNQZMOLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-8-6-7-4-2-3-5-7/h2-6,8H,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine?
1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine has a molecular weight of 107.16 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylidene-N-methylmethanamine is sourced from PubChem (CID 12618107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).