methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium

C9H16NO+ — CID 145273812

IUPACmethoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium
SMILESC/C=C\C1=C([NH2+]OC)CCC1
InChIInChI=1S/C9H15NO/c1-3-5-8-6-4-7-9(8)10-11-2/h3,5,10H,4,6-7H2,1-2H3/p+1/b5-3-
InChIKeyJXQXRLPNNBSLJT-HYXAFXHYSA-O
MW154.23 g/mol
LogP1.13
Rot. Bonds3

About methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium

methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium (PubChem CID 145273812) has the molecular formula C9H16NO+ and a molecular weight of 154.23 g/mol. Its IUPAC name is methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium.

Molecular Properties

Compound Namemethoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium
PubChem CID145273812
Molecular FormulaC9H16NO+
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Namemethoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium
SMILESC/C=C\C1=C([NH2+]OC)CCC1
InChIInChI=1S/C9H15NO/c1-3-5-8-6-4-7-9(8)10-11-2/h3,5,10H,4,6-7H2,1-2H3/p+1/b5-3-
InChIKeyJXQXRLPNNBSLJT-HYXAFXHYSA-O
XLogP1.13
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium?
The IUPAC name of methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium (CID 145273812) is methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium.
What is the SMILES notation for methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium?
The canonical SMILES for methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium is C/C=C\C1=C([NH2+]OC)CCC1.
What is the InChIKey of methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium?
The InChIKey is JXQXRLPNNBSLJT-HYXAFXHYSA-O. The full InChI is InChI=1S/C9H15NO/c1-3-5-8-6-4-7-9(8)10-11-2/h3,5,10H,4,6-7H2,1-2H3/p+1/b5-3-.
What are the key properties of methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium?
methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium has a molecular weight of 154.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium is sourced from PubChem (CID 145273812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).