(Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine

C7H7N — CID 163834032

IUPAC(Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\C1=CC1=C
InChIInChI=1S/C7H7N/c1-6-5-7(6)3-2-4-8/h2-5,8H,1H2/b3-2-,8-4+
InChIKeyOGDMUUDTBDJHSA-SOBRUKQLSA-N
MW105.14 g/mol
LogP1.69
Rot. Bonds2

About (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine

(Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine (PubChem CID 163834032) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine
PubChem CID163834032
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name(Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\C1=CC1=C
InChIInChI=1S/C7H7N/c1-6-5-7(6)3-2-4-8/h2-5,8H,1H2/b3-2-,8-4+
InChIKeyOGDMUUDTBDJHSA-SOBRUKQLSA-N
XLogP1.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine
CID 139321163
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-imine
CID 163955742
(E)-3-(1H-pyrrol-1-ium-3-yl)prop-2-en-1-imine
CID 101138921
2,5-dihydrofuran;(Z)-3-phenylprop-2-en-1-imine
CID 144754678
(Z)-3-(2-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 144659223
(Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine
CID 163851800
lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate
CID 172512168
(Z)-3-(2,5-dimethyl-1,3,2-dioxaborol-4-yl)prop-2-en-1-imine
CID 163757508
3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine
CID 123265279
(Z)-3-(3-methyl-1-benzothiophen-2-yl)prop-2-en-1-imine
CID 160695721
4-[(Z)-3-iminoprop-1-enyl]-5-methylthiophene-2-carboxylic acid
CID 145106601
hexa-2,4-dien-1-imine
CID 86115777

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine (CID 163834032) is (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine is [H]/N=C/C=C\C1=CC1=C.
What is the InChIKey of (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine?
The InChIKey is OGDMUUDTBDJHSA-SOBRUKQLSA-N. The full InChI is InChI=1S/C7H7N/c1-6-5-7(6)3-2-4-8/h2-5,8H,1H2/b3-2-,8-4+.
What are the key properties of (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine?
(Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine has a molecular weight of 105.14 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 163834032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).