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

C14H13NO — CID 15078261

IUPAC2-amino-2,4-dihydro-1H-phenanthren-3-one
SMILESNC1Cc2ccc3ccccc3c2CC1=O
InChIInChI=1S/C14H13NO/c15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)16/h1-6,13H,7-8,15H2
InChIKeyTWLOSIVOYYOWSN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.83
Rot. Bonds

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

2-amino-2,4-dihydro-1H-phenanthren-3-one (PubChem CID 15078261) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-2,4-dihydro-1H-phenanthren-3-one.

Molecular Properties

Compound Name2-amino-2,4-dihydro-1H-phenanthren-3-one
PubChem CID15078261
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-amino-2,4-dihydro-1H-phenanthren-3-one
SMILESNC1Cc2ccc3ccccc3c2CC1=O
InChIInChI=1S/C14H13NO/c15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)16/h1-6,13H,7-8,15H2
InChIKeyTWLOSIVOYYOWSN-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2(1H)-Naphthalenone, 3-amino-3,4-dihydro-
CID 10130111
2-Amino-3,4-dihydro-2H-naphthalen-1-one
CID 412890
2-Naphthaleneacetamide
CID 95293
3-Amino-3,4-dihydro-2-(1H)-naphthalenone, hydrochloride
CID 24901452
7-Amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 53494936
Nam napthylaminoalanine
CID 5288981
7-Amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 56668811
9-Amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride
CID 56668813
9-Amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride
CID 56668814
7-Amino-4-(4-methylphenyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 122183575
2-amino-4-(2-phenylethyl)-2,4-dihydro-1H-phenanthren-3-one
CID 145971617
2-(Aminoacetyl)naphthalene
CID 435282

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4-dihydro-1H-phenanthren-3-one?
The IUPAC name of 2-amino-2,4-dihydro-1H-phenanthren-3-one (CID 15078261) is 2-amino-2,4-dihydro-1H-phenanthren-3-one.
What is the SMILES notation for 2-amino-2,4-dihydro-1H-phenanthren-3-one?
The canonical SMILES for 2-amino-2,4-dihydro-1H-phenanthren-3-one is NC1Cc2ccc3ccccc3c2CC1=O.
What is the InChIKey of 2-amino-2,4-dihydro-1H-phenanthren-3-one?
The InChIKey is TWLOSIVOYYOWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)16/h1-6,13H,7-8,15H2.
What are the key properties of 2-amino-2,4-dihydro-1H-phenanthren-3-one?
2-amino-2,4-dihydro-1H-phenanthren-3-one has a molecular weight of 211.26 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4-dihydro-1H-phenanthren-3-one is sourced from PubChem (CID 15078261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).