(10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one

C25H23NO — CID 132554766

IUPAC(10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one
SMILESC=CC[C@]1(N[C@@H](C)c2ccccc2)C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23NO/c1-3-17-25(26-18(2)19-11-5-4-6-12-19)23-16-10-9-14-21(23)20-13-7-8-15-22(20)24(25)27/h3-16,18,26H,1,17H2,2H3/t18-,25+/m0/s1
InChIKeyUPXSQSKTOJAZCU-AVRWGWEMSA-N
MW353.47 g/mol
LogP5.67
Rot. Bonds5

About (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one

(10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one (PubChem CID 132554766) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one.

Molecular Properties

Compound Name(10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one
PubChem CID132554766
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name(10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one
SMILESC=CC[C@]1(N[C@@H](C)c2ccccc2)C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23NO/c1-3-17-25(26-18(2)19-11-5-4-6-12-19)23-16-10-9-14-21(23)20-13-7-8-15-22(20)24(25)27/h3-16,18,26H,1,17H2,2H3/t18-,25+/m0/s1
InChIKeyUPXSQSKTOJAZCU-AVRWGWEMSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.67
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 (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one?
The IUPAC name of (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one (CID 132554766) is (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one.
What is the SMILES notation for (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one?
The canonical SMILES for (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one is C=CC[C@]1(N[C@@H](C)c2ccccc2)C(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one?
The InChIKey is UPXSQSKTOJAZCU-AVRWGWEMSA-N. The full InChI is InChI=1S/C25H23NO/c1-3-17-25(26-18(2)19-11-5-4-6-12-19)23-16-10-9-14-21(23)20-13-7-8-15-22(20)24(25)27/h3-16,18,26H,1,17H2,2H3/t18-,25+/m0/s1.
What are the key properties of (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one?
(10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one has a molecular weight of 353.47 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-[[(1S)-1-phenylethyl]amino]-10-prop-2-enylphenanthren-9-one is sourced from PubChem (CID 132554766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).