1-amino-3,4-dihydro-1H-anthracen-2-one

C14H13NO — CID 174638645

IUPAC1-amino-3,4-dihydro-1H-anthracen-2-one
SMILESNC1C(=O)CCc2cc3ccccc3cc21
InChIInChI=1S/C14H13NO/c15-14-12-8-10-4-2-1-3-9(10)7-11(12)5-6-13(14)16/h1-4,7-8,14H,5-6,15H2
InChIKeyZHMRIRRRVVOVLO-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.35
Rot. Bonds

About 1-amino-3,4-dihydro-1H-anthracen-2-one

1-amino-3,4-dihydro-1H-anthracen-2-one (PubChem CID 174638645) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-amino-3,4-dihydro-1H-anthracen-2-one.

Molecular Properties

Compound Name1-amino-3,4-dihydro-1H-anthracen-2-one
PubChem CID174638645
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-amino-3,4-dihydro-1H-anthracen-2-one
SMILESNC1C(=O)CCc2cc3ccccc3cc21
InChIInChI=1S/C14H13NO/c15-14-12-8-10-4-2-1-3-9(10)7-11(12)5-6-13(14)16/h1-4,7-8,14H,5-6,15H2
InChIKeyZHMRIRRRVVOVLO-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3,4-dihydro-1H-anthracen-2-one?
The IUPAC name of 1-amino-3,4-dihydro-1H-anthracen-2-one (CID 174638645) is 1-amino-3,4-dihydro-1H-anthracen-2-one.
What is the SMILES notation for 1-amino-3,4-dihydro-1H-anthracen-2-one?
The canonical SMILES for 1-amino-3,4-dihydro-1H-anthracen-2-one is NC1C(=O)CCc2cc3ccccc3cc21.
What is the InChIKey of 1-amino-3,4-dihydro-1H-anthracen-2-one?
The InChIKey is ZHMRIRRRVVOVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-14-12-8-10-4-2-1-3-9(10)7-11(12)5-6-13(14)16/h1-4,7-8,14H,5-6,15H2.
What are the key properties of 1-amino-3,4-dihydro-1H-anthracen-2-one?
1-amino-3,4-dihydro-1H-anthracen-2-one has a molecular weight of 211.26 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,4-dihydro-1H-anthracen-2-one is sourced from PubChem (CID 174638645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).