N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide

C11H18N2 — CID 134424189

IUPACN-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide
SMILESC/C=C(\N/C(C)=N/C)C1=CCCC1
InChIInChI=1S/C11H18N2/c1-4-11(13-9(2)12-3)10-7-5-6-8-10/h4,7H,5-6,8H2,1-3H3,(H,12,13)/b11-4-
InChIKeyQPSCWDBLKUEKIW-WCIBSUBMSA-N
MW178.28 g/mol
LogP2.64
Rot. Bonds2

About N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide

N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide (PubChem CID 134424189) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide
PubChem CID134424189
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide
SMILESC/C=C(\N/C(C)=N/C)C1=CCCC1
InChIInChI=1S/C11H18N2/c1-4-11(13-9(2)12-3)10-7-5-6-8-10/h4,7H,5-6,8H2,1-3H3,(H,12,13)/b11-4-
InChIKeyQPSCWDBLKUEKIW-WCIBSUBMSA-N
XLogP2.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide?
The IUPAC name of N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide (CID 134424189) is N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide is C/C=C(\N/C(C)=N/C)C1=CCCC1.
What is the InChIKey of N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide?
The InChIKey is QPSCWDBLKUEKIW-WCIBSUBMSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-11(13-9(2)12-3)10-7-5-6-8-10/h4,7H,5-6,8H2,1-3H3,(H,12,13)/b11-4-.
What are the key properties of N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide?
N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide is sourced from PubChem (CID 134424189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).