N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine

C8H11N — CID 163577886

IUPACN-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine
SMILESC=NC1C=C1/C(C)=C\C
InChIInChI=1S/C8H11N/c1-4-6(2)7-5-8(7)9-3/h4-5,8H,3H2,1-2H3/b6-4-
InChIKeyGFBTVEDFGZUFDB-XQRVVYSFSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds2

About N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine

N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine (PubChem CID 163577886) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine.

Molecular Properties

Compound NameN-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine
PubChem CID163577886
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine
SMILESC=NC1C=C1/C(C)=C\C
InChIInChI=1S/C8H11N/c1-4-6(2)7-5-8(7)9-3/h4-5,8H,3H2,1-2H3/b6-4-
InChIKeyGFBTVEDFGZUFDB-XQRVVYSFSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 142913204
CID 142913204
CID 20817701
CID 20817701
CID 89260091
CID 89260091
CID 123336992
CID 123336992
CID 123485325
CID 123485325
CID 123534808
CID 123534808
CID 123687156
CID 123687156
CID 123911405
CID 123911405
CID 124181531
CID 124181531
CID 126654021
CID 126654021
CID 126735951
CID 126735951
CID 126738438
CID 126738438

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine?
The IUPAC name of N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine (CID 163577886) is N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine.
What is the SMILES notation for N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine?
The canonical SMILES for N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine is C=NC1C=C1/C(C)=C\C.
What is the InChIKey of N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine?
The InChIKey is GFBTVEDFGZUFDB-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H11N/c1-4-6(2)7-5-8(7)9-3/h4-5,8H,3H2,1-2H3/b6-4-.
What are the key properties of N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine?
N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-but-2-en-2-yl]cycloprop-2-en-1-yl]methanimine is sourced from PubChem (CID 163577886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).