2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide

C11H16N2 — CID 163883953

IUPAC2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CC1C=C(/C=C\C)C=CC1
InChIInChI=1S/C11H16N2/c1-2-4-9-5-3-6-10(7-9)8-11(12)13/h2-5,7,10H,6,8H2,1H3,(H3,12,13)/b4-2-
InChIKeyPVRZUUKQXRDBGQ-RQOWECAXSA-N
MW176.26 g/mol
LogP2.39
Rot. Bonds3

About 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide

2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide (PubChem CID 163883953) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide
PubChem CID163883953
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CC1C=C(/C=C\C)C=CC1
InChIInChI=1S/C11H16N2/c1-2-4-9-5-3-6-10(7-9)8-11(12)13/h2-5,7,10H,6,8H2,1H3,(H3,12,13)/b4-2-
InChIKeyPVRZUUKQXRDBGQ-RQOWECAXSA-N
XLogP2.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,6-Difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
CID 69107459
4-Ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide
CID 170147171
2-Cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide
CID 88977513
5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine
CID 89199424
(2E)-2-[(2Z)-4-methylpenta-2,4-dienylidene]cyclohexane-1-carboximidamide
CID 89585167
3-Ethyl-4-methylocta-4,6-dienimidamide
CID 90767630
5-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 121291508
(4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide
CID 121451167
5-Ethylcyclopenta-1,3-diene-1-carboximidamide
CID 122461125
2,6-Dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
CID 126601347
N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide
CID 129161143
(3R)-2,3-dimethylcyclohexa-1,5-diene-1-carboximidamide
CID 130178588

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide?
The IUPAC name of 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide (CID 163883953) is 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide.
What is the SMILES notation for 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide?
The canonical SMILES for 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide is [H]/N=C(\N)CC1C=C(/C=C\C)C=CC1.
What is the InChIKey of 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide?
The InChIKey is PVRZUUKQXRDBGQ-RQOWECAXSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-4-9-5-3-6-10(7-9)8-11(12)13/h2-5,7,10H,6,8H2,1H3,(H3,12,13)/b4-2-.
What are the key properties of 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide?
2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethanimidamide is sourced from PubChem (CID 163883953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).