5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine

C10H12N2 — CID 139381406

IUPAC5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine
SMILESC=C1C=CC=C(N)/C1=N/C=C\C
InChIInChI=1S/C10H12N2/c1-3-7-12-10-8(2)5-4-6-9(10)11/h3-7H,2,11H2,1H3/b7-3-,12-10+
InChIKeyBCRPZJKWWBVKKY-DTFKZNEQSA-N
MW160.22 g/mol
LogP1.93
Rot. Bonds1

About 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine

5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine (PubChem CID 139381406) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine
PubChem CID139381406
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine
SMILESC=C1C=CC=C(N)/C1=N/C=C\C
InChIInChI=1S/C10H12N2/c1-3-7-12-10-8(2)5-4-6-9(10)11/h3-7H,2,11H2,1H3/b7-3-,12-10+
InChIKeyBCRPZJKWWBVKKY-DTFKZNEQSA-N
XLogP1.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine (CID 139381406) is 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine is C=C1C=CC=C(N)/C1=N/C=C\C.
What is the InChIKey of 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine?
The InChIKey is BCRPZJKWWBVKKY-DTFKZNEQSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-7-12-10-8(2)5-4-6-9(10)11/h3-7H,2,11H2,1H3/b7-3-,12-10+.
What are the key properties of 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine?
5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 139381406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).