(6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide

C18H19NO — CID 162526016

IUPAC(6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
SMILESC/C=C1/C2CC3(C(N)=O)CC4(c5ccccc5)CC1C234
InChIInChI=1S/C18H19NO/c1-2-12-13-8-16(11-6-4-3-5-7-11)10-17(15(19)20)9-14(12)18(13,16)17/h2-7,13-14H,8-10H2,1H3,(H2,19,20)/b12-2+
InChIKeyVSDAVCCJMLPYJS-SWGQDTFXSA-N
MW265.36 g/mol
LogP2.79
Rot. Bonds2

About (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide

(6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide (PubChem CID 162526016) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide.

Molecular Properties

Compound Name(6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
PubChem CID162526016
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
SMILESC/C=C1/C2CC3(C(N)=O)CC4(c5ccccc5)CC1C234
InChIInChI=1S/C18H19NO/c1-2-12-13-8-16(11-6-4-3-5-7-11)10-17(15(19)20)9-14(12)18(13,16)17/h2-7,13-14H,8-10H2,1H3,(H2,19,20)/b12-2+
InChIKeyVSDAVCCJMLPYJS-SWGQDTFXSA-N
XLogP2.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E)-3-phenyl-6-propylidenetetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
CID 162525467
molecular hydrogen;(6Z)-3-phenyl-6-propylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
CID 162525571
cyclohexanamine;10-(2-methylpropyl)-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxamide
CID 162525712
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
methyl 11-(hydroxymethyl)-5-phenyltetracyclo[5.3.1.03,9.05,9]undecane-3-carboxylate
CID 162754487
3-phenyl-6-propylideneadamantane-1-carboxamide
CID 166909043
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435862
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
(6Z)-3-phenyl-6-propylidenetetracyclo[5.3.1.03,9.05,9]undecane-1-carbothioamide
CID 162754737
1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one
CID 176907665
6-benzylidene-3-phenyladamantane-1-carboxamide
CID 162754646
5,7-dimethyl-1-phenyladamantane-2,2-diamine
CID 141394164

Frequently Asked Questions

What is the IUPAC name of (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The IUPAC name of (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide (CID 162526016) is (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide.
What is the SMILES notation for (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The canonical SMILES for (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide is C/C=C1/C2CC3(C(N)=O)CC4(c5ccccc5)CC1C234.
What is the InChIKey of (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The InChIKey is VSDAVCCJMLPYJS-SWGQDTFXSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-12-13-8-16(11-6-4-3-5-7-11)10-17(15(19)20)9-14(12)18(13,16)17/h2-7,13-14H,8-10H2,1H3,(H2,19,20)/b12-2+.
What are the key properties of (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
(6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-ethylidene-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide is sourced from PubChem (CID 162526016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).