(Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine

C7H8N2 — CID 55290816

IUPAC(Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine
SMILES[H]/N=C/C1=CC=C/C1=C/N
InChIInChI=1S/C7H8N2/c8-4-6-2-1-3-7(6)5-9/h1-5,8H,9H2/b7-5-,8-4+
InChIKeyZKZGGFUKYROOGV-DZAKWUEVSA-N
MW120.15 g/mol
LogP0.97
Rot. Bonds1

About (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine

(Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine (PubChem CID 55290816) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine.

Molecular Properties

Compound Name(Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine
PubChem CID55290816
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine
SMILES[H]/N=C/C1=CC=C/C1=C/N
InChIInChI=1S/C7H8N2/c8-4-6-2-1-3-7(6)5-9/h1-5,8H,9H2/b7-5-,8-4+
InChIKeyZKZGGFUKYROOGV-DZAKWUEVSA-N
XLogP0.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenta-1,4-dien-1-ylmethanimine
CID 91263645
(5-Methanimidoylcyclopenta-1,4-dien-1-yl)methanimine
CID 90811439
(3-Methanimidoylcyclopenta-1,3-dien-1-yl)methanimine
CID 91289315
Cyclopenta-1,3-dien-1-ylmethanimine
CID 20234812
(E)-(3-methanimidoylcyclohex-2-en-1-ylidene)methanamine
CID 20714555
(3-Methanimidoylcyclohex-2-en-1-ylidene)methanamine
CID 59977240
Cyclohexa-1,5-dien-1-ylmethanimine
CID 88580703
(1Z,3Z,6Z,8Z)-6-methanimidoyl-5-methylidenedeca-1,3,6,8-tetraen-1-amine
CID 117620760
(1E,3Z)-2-(2,3-dihydropyridin-5-yl)hexa-1,3,5-trien-1-amine
CID 117827823
(1Z,3E)-3-methanimidoyl-2,5-dimethylhexa-1,3,5-trien-1-amine
CID 129089320
(2E,3Z)-2-prop-2-enylideneocta-3,7-dien-1-imine
CID 129194124
(Z)-2-(6-methylideneazepin-3-yl)but-2-en-1-imine
CID 129225444

Frequently Asked Questions

What is the IUPAC name of (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine?
The IUPAC name of (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine (CID 55290816) is (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine.
What is the SMILES notation for (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine?
The canonical SMILES for (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine is [H]/N=C/C1=CC=C/C1=C/N.
What is the InChIKey of (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine?
The InChIKey is ZKZGGFUKYROOGV-DZAKWUEVSA-N. The full InChI is InChI=1S/C7H8N2/c8-4-6-2-1-3-7(6)5-9/h1-5,8H,9H2/b7-5-,8-4+.
What are the key properties of (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine?
(Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine has a molecular weight of 120.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine is sourced from PubChem (CID 55290816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).