N-prop-2-enyl-9H-xanthen-9-amine

C16H15NO — CID 43344194

IUPACN-prop-2-enyl-9H-xanthen-9-amine
SMILESC=CCNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H15NO/c1-2-11-17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h2-10,16-17H,1,11H2
InChIKeyTUGDGXHNPTXMSW-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.66
Rot. Bonds3

About N-prop-2-enyl-9H-xanthen-9-amine

N-prop-2-enyl-9H-xanthen-9-amine (PubChem CID 43344194) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is N-prop-2-enyl-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-prop-2-enyl-9H-xanthen-9-amine
PubChem CID43344194
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC NameN-prop-2-enyl-9H-xanthen-9-amine
SMILESC=CCNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H15NO/c1-2-11-17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h2-10,16-17H,1,11H2
InChIKeyTUGDGXHNPTXMSW-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-9H-xanthen-9-amine?
The IUPAC name of N-prop-2-enyl-9H-xanthen-9-amine (CID 43344194) is N-prop-2-enyl-9H-xanthen-9-amine.
What is the SMILES notation for N-prop-2-enyl-9H-xanthen-9-amine?
The canonical SMILES for N-prop-2-enyl-9H-xanthen-9-amine is C=CCNC1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-prop-2-enyl-9H-xanthen-9-amine?
The InChIKey is TUGDGXHNPTXMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-11-17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h2-10,16-17H,1,11H2.
What are the key properties of N-prop-2-enyl-9H-xanthen-9-amine?
N-prop-2-enyl-9H-xanthen-9-amine has a molecular weight of 237.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-9H-xanthen-9-amine is sourced from PubChem (CID 43344194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).