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

C8H14NO+ — CID 145273819

IUPAChydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium
SMILESC/C=C\C1=C([NH2+]O)CCC1
InChIInChI=1S/C8H13NO/c1-2-4-7-5-3-6-8(7)9-10/h2,4,9-10H,3,5-6H2,1H3/p+1/b4-2-
InChIKeyDDDAPUCRWMTTMN-RQOWECAXSA-O
MW140.21 g/mol
LogP0.95
Rot. Bonds2

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

hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium (PubChem CID 145273819) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium.

Molecular Properties

Compound Namehydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium
PubChem CID145273819
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Namehydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium
SMILESC/C=C\C1=C([NH2+]O)CCC1
InChIInChI=1S/C8H13NO/c1-2-4-7-5-3-6-8(7)9-10/h2,4,9-10H,3,5-6H2,1H3/p+1/b4-2-
InChIKeyDDDAPUCRWMTTMN-RQOWECAXSA-O
XLogP0.95
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
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 hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium?
The IUPAC name of hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium (CID 145273819) is hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium.
What is the SMILES notation for hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium?
The canonical SMILES for hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium is C/C=C\C1=C([NH2+]O)CCC1.
What is the InChIKey of hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium?
The InChIKey is DDDAPUCRWMTTMN-RQOWECAXSA-O. The full InChI is InChI=1S/C8H13NO/c1-2-4-7-5-3-6-8(7)9-10/h2,4,9-10H,3,5-6H2,1H3/p+1/b4-2-.
What are the key properties of hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium?
hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium has a molecular weight of 140.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-[(Z)-prop-1-enyl]cyclopenten-1-yl]azanium is sourced from PubChem (CID 145273819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).